Imidazoles

Aromatic organic heterocyclic compounds that consist of a diazole with non-adjacent nitrogen atoms with the formula: C3N2H4.

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2-(4-Fluorophenyl)benzimidazole, 95%, Thermo Scientific Chemicals

CAS: 324-27-6 Molecular Formula: C13H9FN2 Molecular Weight (g/mol): 212.23 MDL Number: MFCD00224358 InChI Key: FPWUSPPQEHBWHC-UHFFFAOYSA-N Synonym: 2-4-fluorophenyl-1h-benzimidazole,1h-benzimidazole, 2-4-fluorophenyl,2-4-fluorophenyl-1h-1,3-benzodiazole,2-4-fluorophenyl-1h-benzoimidazole,p-fluorophenyl-2 benzimidazole,2-4-fluoro-phenyl-1h-benzoimidazole,2-4-fluorophenyl-1h-benzo d imidazole,p-fluorophenyl-2 benzimidazole french,2-4-fluorophenyl benzimidazole,benzimidazole, 2-p-fluorophenyl-7ci,8ci PubChem CID: 101259 SMILES: FC1=CC=C(C=C1)C1=NC2=CC=CC=C2N1

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PubChem CID	101259
CAS	324-27-6
Molecular Weight (g/mol)	212.23
MDL Number	MFCD00224358
SMILES	FC1=CC=C(C=C1)C1=NC2=CC=CC=C2N1
Synonym	2-4-fluorophenyl-1h-benzimidazole,1h-benzimidazole, 2-4-fluorophenyl,2-4-fluorophenyl-1h-1,3-benzodiazole,2-4-fluorophenyl-1h-benzoimidazole,p-fluorophenyl-2 benzimidazole,2-4-fluoro-phenyl-1h-benzoimidazole,2-4-fluorophenyl-1h-benzo d imidazole,p-fluorophenyl-2 benzimidazole french,2-4-fluorophenyl benzimidazole,benzimidazole, 2-p-fluorophenyl-7ci,8ci
InChI Key	FPWUSPPQEHBWHC-UHFFFAOYSA-N
Molecular Formula	C13H9FN2

1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride, Thermo Scientific™

CAS: 343569-06-2 Molecular Formula: C5H6Cl2N2O Molecular Weight (g/mol): 181.02 MDL Number: MFCD03659705 InChI Key: IRADJQMSOFSMNS-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-5-carbonyl chloride hydrochloride,3-methylimidazole-4-carbonyl chloride hydrochloride,1-methylimidazole-5-carbonyl chloride hcl,3-methyl-3h-imidazole-4-carbonyl chloride hydrochloride,3-methyl-4-imidazolecarbonyl chloride hydrochloride,5-chlorocarbonyl-1-methyl-1h-imidazole hydrochloride,1h-imidazole-5-carbonylchloride, 1-methyl-, hydrochloride 1:1 PubChem CID: 2776553 SMILES: Cl.CN1C=NC=C1C(Cl)=O

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PubChem CID	2776553
CAS	343569-06-2
Molecular Weight (g/mol)	181.02
MDL Number	MFCD03659705
SMILES	Cl.CN1C=NC=C1C(Cl)=O
Synonym	1-methyl-1h-imidazole-5-carbonyl chloride hydrochloride,3-methylimidazole-4-carbonyl chloride hydrochloride,1-methylimidazole-5-carbonyl chloride hcl,3-methyl-3h-imidazole-4-carbonyl chloride hydrochloride,3-methyl-4-imidazolecarbonyl chloride hydrochloride,5-chlorocarbonyl-1-methyl-1h-imidazole hydrochloride,1h-imidazole-5-carbonylchloride, 1-methyl-, hydrochloride 1:1
InChI Key	IRADJQMSOFSMNS-UHFFFAOYSA-N
Molecular Formula	C5H6Cl2N2O

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2,4,5-Triphenylimidazole, 97%

CAS: 484-47-9 Molecular Formula: C21H16N2 Molecular Weight (g/mol): 296.373 MDL Number: MFCD00005187 InChI Key: RNIPJYFZGXJSDD-UHFFFAOYSA-N Synonym: 2,4,5-triphenylimidazole,lophine,lophin,1h-imidazole, 2,4,5-triphenyl,2,4,5-triphenyl-1,3-imidazole,unii-q6k46g80zd,imidazole, 2,4,5-triphenyl,chembl34173,2,5-triphenylimidazole,imidazole,4,5-triphenyl PubChem CID: 10232 IUPAC Name: 2,4,5-triphenyl-1H-imidazole SMILES: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

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PubChem CID	10232
CAS	484-47-9
Molecular Weight (g/mol)	296.373
MDL Number	MFCD00005187
SMILES	C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4
Synonym	2,4,5-triphenylimidazole,lophine,lophin,1h-imidazole, 2,4,5-triphenyl,2,4,5-triphenyl-1,3-imidazole,unii-q6k46g80zd,imidazole, 2,4,5-triphenyl,chembl34173,2,5-triphenylimidazole,imidazole,4,5-triphenyl
IUPAC Name	2,4,5-triphenyl-1H-imidazole
InChI Key	RNIPJYFZGXJSDD-UHFFFAOYSA-N
Molecular Formula	C21H16N2

1-Methyl-1H-imidazole-4-sulfonyl chloride, 95+%, Thermo Scientific™

CAS: 137049-00-4 Molecular Formula: C4H5ClN2O2S Molecular Weight (g/mol): 180.61 MDL Number: MFCD00068060 InChI Key: KXUGUWTUFUWYRS-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-4-sulfonyl chloride,1-methyl-1h-imidazole-4-sulphonyl chloride,1h-imidazole-4-sulfonyl chloride, 1-methyl,1-methylimidazole-4-sulfonylchloride,1-methylimidazole-4-sulphonyl chloride,chloro 1-methylimidazol-4-yl sulfone,2-methoxymethylpropenal,acmc-209cak,buttpark 27\06-11,1-methylimidazol-4-sulfonylchloride PubChem CID: 2736887 IUPAC Name: 1-methylimidazole-4-sulfonyl chloride SMILES: CN1C=NC(=C1)S(Cl)(=O)=O

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PubChem CID	2736887
CAS	137049-00-4
Molecular Weight (g/mol)	180.61
MDL Number	MFCD00068060
SMILES	CN1C=NC(=C1)S(Cl)(=O)=O
Synonym	1-methyl-1h-imidazole-4-sulfonyl chloride,1-methyl-1h-imidazole-4-sulphonyl chloride,1h-imidazole-4-sulfonyl chloride, 1-methyl,1-methylimidazole-4-sulfonylchloride,1-methylimidazole-4-sulphonyl chloride,chloro 1-methylimidazol-4-yl sulfone,2-methoxymethylpropenal,acmc-209cak,buttpark 27\06-11,1-methylimidazol-4-sulfonylchloride
IUPAC Name	1-methylimidazole-4-sulfonyl chloride
InChI Key	KXUGUWTUFUWYRS-UHFFFAOYSA-N
Molecular Formula	C4H5ClN2O2S

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2-Aminoimidazole hemisulfate, 98+%

CAS: 1450-93-7 Molecular Formula: C6H12N6O4S Molecular Weight (g/mol): 264.26 MDL Number: MFCD00013162 InChI Key: KUWRLKJYNASPQZ-UHFFFAOYSA-N Synonym: 2-aminoimidazole hemisulfate,1h-imidazol-2-amine sulfate 2:1,bis 1h-imidazol-2-amine ; sulfuric acid,2-aminoimidazole sulphate,bis 2-aminoimidazole sulfate,1h-imidazol-2-amine sulfurate,2-aminoimidazole sulfate 2:1,1h-imidazol-2-amine, sulfate 2:1,pubchem8378,aminoimidazole hemisulfate PubChem CID: 2734684 SMILES: OS(O)(=O)=O.NC1=NC=CN1.NC1=NC=CN1

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PubChem CID	2734684
CAS	1450-93-7
Molecular Weight (g/mol)	264.26
MDL Number	MFCD00013162
SMILES	OS(O)(=O)=O.NC1=NC=CN1.NC1=NC=CN1
Synonym	2-aminoimidazole hemisulfate,1h-imidazol-2-amine sulfate 2:1,bis 1h-imidazol-2-amine ; sulfuric acid,2-aminoimidazole sulphate,bis 2-aminoimidazole sulfate,1h-imidazol-2-amine sulfurate,2-aminoimidazole sulfate 2:1,1h-imidazol-2-amine, sulfate 2:1,pubchem8378,aminoimidazole hemisulfate
InChI Key	KUWRLKJYNASPQZ-UHFFFAOYSA-N
Molecular Formula	C6H12N6O4S

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1-Butyl-2,3-dimethylimidazolium chloride, 99%

CAS: 98892-75-2 Molecular Formula: C9H17ClN2 Molecular Weight (g/mol): 188.699 MDL Number: MFCD03093291 InChI Key: HHHYPTORQNESCU-UHFFFAOYSA-M Synonym: 1-butyl-2,3-dimethylimidazolium chloride,1-butyl-2,3-dimethyl-1h-imidazol-3-ium chloride,1-butyl-2,3-dimethylimidazol-1-ium chloride,3-butyl-1,2-dimethylimidazol-1-ium chloride,acmc-209sba,dsstox_cid_27882,dsstox_rid_82635,dsstox_gsid_47906,1-butyl-2,3-dimethylimidazoliumchloride,1-butyl-2,3-dime-thylimidazolium chloride PubChem CID: 2734167 IUPAC Name: 1-butyl-2,3-dimethylimidazol-3-ium;chloride SMILES: CCCCN1C=C[N+](=C1C)C.[Cl-]

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PubChem CID	2734167
CAS	98892-75-2
Molecular Weight (g/mol)	188.699
MDL Number	MFCD03093291
SMILES	CCCCN1C=C[N+](=C1C)C.[Cl-]
Synonym	1-butyl-2,3-dimethylimidazolium chloride,1-butyl-2,3-dimethyl-1h-imidazol-3-ium chloride,1-butyl-2,3-dimethylimidazol-1-ium chloride,3-butyl-1,2-dimethylimidazol-1-ium chloride,acmc-209sba,dsstox_cid_27882,dsstox_rid_82635,dsstox_gsid_47906,1-butyl-2,3-dimethylimidazoliumchloride,1-butyl-2,3-dime-thylimidazolium chloride
IUPAC Name	1-butyl-2,3-dimethylimidazol-3-ium;chloride
InChI Key	HHHYPTORQNESCU-UHFFFAOYSA-M
Molecular Formula	C9H17ClN2

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1-Butyl-3-methylimidazolium chloride, 98+%

CAS: 79917-90-1 Molecular Formula: C8H15ClN2 Molecular Weight (g/mol): 174.67 MDL Number: MFCD03095425 InChI Key: FHDQNOXQSTVAIC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 PubChem CID: 2734161 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;chloride SMILES: [Cl-].CCCCN1C=C[N+](C)=C1

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Specifications

PubChem CID	2734161
CAS	79917-90-1
Molecular Weight (g/mol)	174.67
MDL Number	MFCD03095425
SMILES	[Cl-].CCCCN1C=C[N+](C)=C1
Synonym	1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461
IUPAC Name	1-butyl-3-methylimidazol-3-ium;chloride
InChI Key	FHDQNOXQSTVAIC-UHFFFAOYSA-M
Molecular Formula	C8H15ClN2

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4-Methyl-5-imidazolecarboxaldehyde, 99%

CAS: 68282-53-1 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00173728 InChI Key: KMWCSNCNHSEXIF-UHFFFAOYSA-N Synonym: 4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs PubChem CID: 2795887 IUPAC Name: 5-methyl-1H-imidazole-4-carbaldehyde SMILES: CC1=C(C=O)N=CN1

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Specifications

PubChem CID	2795887
CAS	68282-53-1
Molecular Weight (g/mol)	110.12
MDL Number	MFCD00173728
SMILES	CC1=C(C=O)N=CN1
Synonym	4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs
IUPAC Name	5-methyl-1H-imidazole-4-carbaldehyde
InChI Key	KMWCSNCNHSEXIF-UHFFFAOYSA-N
Molecular Formula	C5H6N2O

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N-Butylimidazole, 98%

CAS: 4316-42-1 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00042753 InChI Key: MCMFEZDRQOJKMN-UHFFFAOYSA-N Synonym: 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl PubChem CID: 61347 IUPAC Name: 1-butyl-1H-imidazole SMILES: CCCCN1C=CN=C1

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Specifications

PubChem CID	61347
CAS	4316-42-1
Molecular Weight (g/mol)	124.19
MDL Number	MFCD00042753
SMILES	CCCCN1C=CN=C1
Synonym	1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl
IUPAC Name	1-butyl-1H-imidazole
InChI Key	MCMFEZDRQOJKMN-UHFFFAOYSA-N
Molecular Formula	C7H12N2

Flumazenil, 98%

CAS: 78755-81-4 Molecular Formula: C15H14FN3O3 Molecular Weight (g/mol): 303.293 MDL Number: MFCD00242764 InChI Key: OFBIFZUFASYYRE-UHFFFAOYSA-N Synonym: flumazenil,anexate,flumazepil,romazicon,lanexat,mazicon,flumazenilum,flumazenilo,flumazenilum latin,flumazenilo spanish PubChem CID: 3373 ChEBI: CHEBI:5103 IUPAC Name: ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C

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Specifications

PubChem CID	3373
CAS	78755-81-4
Molecular Weight (g/mol)	303.293
ChEBI	CHEBI:5103
MDL Number	MFCD00242764
SMILES	CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C
Synonym	flumazenil,anexate,flumazepil,romazicon,lanexat,mazicon,flumazenilum,flumazenilo,flumazenilum latin,flumazenilo spanish
IUPAC Name	ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
InChI Key	OFBIFZUFASYYRE-UHFFFAOYSA-N
Molecular Formula	C15H14FN3O3

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1,1'-Carbonyldiimidazole, 97%

CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 IUPAC Name: di(imidazol-1-yl)methanone SMILES: O=C(N1C=CN=C1)N1C=CN=C1

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Specifications

PubChem CID	68263
CAS	530-62-1
Molecular Weight (g/mol)	162.15
MDL Number	MFCD00005286
SMILES	O=C(N1C=CN=C1)N1C=CN=C1
Synonym	1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
IUPAC Name	di(imidazol-1-yl)methanone
InChI Key	PFKFTWBEEFSNDU-UHFFFAOYSA-N
Molecular Formula	C7H6N4O

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2,9-Diacetylguanine, 96%, Thermo Scientific™

CAS: 3056-33-5 Molecular Formula: C9H9N5O3 Molecular Weight (g/mol): 235.20 MDL Number: MFCD00142116 InChI Key: GILZZWCROUGLIS-UHFFFAOYSA-N PubChem CID: 76461 IUPAC Name: N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide SMILES: CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O

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Specifications

PubChem CID	76461
CAS	3056-33-5
Molecular Weight (g/mol)	235.20
MDL Number	MFCD00142116
SMILES	CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O
IUPAC Name	N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide
InChI Key	GILZZWCROUGLIS-UHFFFAOYSA-N
Molecular Formula	C9H9N5O3

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1-Allylimidazole, 97%

CAS: 31410-01-2 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00037894 InChI Key: XLXCHZCQTCBUOX-UHFFFAOYSA-N Synonym: 1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole # PubChem CID: 35794 IUPAC Name: 1-prop-2-enylimidazole SMILES: C=CCN1C=CN=C1

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Specifications

PubChem CID	35794
CAS	31410-01-2
Molecular Weight (g/mol)	108.14
MDL Number	MFCD00037894
SMILES	C=CCN1C=CN=C1
Synonym	1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole #
IUPAC Name	1-prop-2-enylimidazole
InChI Key	XLXCHZCQTCBUOX-UHFFFAOYSA-N
Molecular Formula	C6H8N2

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2-Phenylbenzimidazole-5-sulfonic acid, 98%

CAS: 27503-81-7 Molecular Formula: C13H10N2O3S Molecular Weight (g/mol): 274.29 MDL Number: MFCD00053007 InChI Key: UVCJGUGAGLDPAA-UHFFFAOYSA-N Synonym: ensulizole,2-phenylbenzimidazole-5-sulfonic acid,phenylbenzimidazole sulfonic acid,2-phenyl-1h-benzo d imidazole-5-sulfonic acid,2-phenyl-1h-benzo d imidazole-6-sulfonic acid,1h-benzimidazole-5-sulfonic acid, 2-phenyl,unii-9yq9di1w42,2-phenyl-1h-benzimidazole-5-sulfonic acid,parsol hs,2-phenyl-5-benzimidazolesulfonic acid PubChem CID: 33919 IUPAC Name: 2-phenyl-3H-benzimidazole-5-sulfonic acid SMILES: OS(=O)(=O)C1=CC=C2N=C(NC2=C1)C1=CC=CC=C1

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Specifications

PubChem CID	33919
CAS	27503-81-7
Molecular Weight (g/mol)	274.29
MDL Number	MFCD00053007
SMILES	OS(=O)(=O)C1=CC=C2N=C(NC2=C1)C1=CC=CC=C1
Synonym	ensulizole,2-phenylbenzimidazole-5-sulfonic acid,phenylbenzimidazole sulfonic acid,2-phenyl-1h-benzo d imidazole-5-sulfonic acid,2-phenyl-1h-benzo d imidazole-6-sulfonic acid,1h-benzimidazole-5-sulfonic acid, 2-phenyl,unii-9yq9di1w42,2-phenyl-1h-benzimidazole-5-sulfonic acid,parsol hs,2-phenyl-5-benzimidazolesulfonic acid
IUPAC Name	2-phenyl-3H-benzimidazole-5-sulfonic acid
InChI Key	UVCJGUGAGLDPAA-UHFFFAOYSA-N
Molecular Formula	C13H10N2O3S

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1-Allyl-3-methylimidazolium chloride, 98%

CAS: 65039-10-3 Molecular Formula: C7H11ClN2 Molecular Weight (g/mol): 158.629 MDL Number: MFCD07784450 InChI Key: QVRCRKLLQYOIKY-UHFFFAOYSA-M Synonym: 1-allyl-3-methylimidazolium chloride,1-allyl-3-methyl-1h-imidazol-3-ium chloride,1-methyl-3-prop-2-en-1-yl imidazol-1-ium chloride,amim-cl,1-allyl-3-methylimidazoliumchloride,dsstox_cid_27904,dsstox_rid_82657,dsstox_gsid_47928,1-methyl-3-allylimidazolium chloride,1-allyl-3-methyl-3-imidazolium chloride PubChem CID: 11321106 IUPAC Name: 1-methyl-3-prop-2-enylimidazol-1-ium;chloride SMILES: C[N+]1=CN(C=C1)CC=C.[Cl-]

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Specifications

PubChem CID	11321106
CAS	65039-10-3
Molecular Weight (g/mol)	158.629
MDL Number	MFCD07784450
SMILES	C[N+]1=CN(C=C1)CC=C.[Cl-]
Synonym	1-allyl-3-methylimidazolium chloride,1-allyl-3-methyl-1h-imidazol-3-ium chloride,1-methyl-3-prop-2-en-1-yl imidazol-1-ium chloride,amim-cl,1-allyl-3-methylimidazoliumchloride,dsstox_cid_27904,dsstox_rid_82657,dsstox_gsid_47928,1-methyl-3-allylimidazolium chloride,1-allyl-3-methyl-3-imidazolium chloride
IUPAC Name	1-methyl-3-prop-2-enylimidazol-1-ium;chloride
InChI Key	QVRCRKLLQYOIKY-UHFFFAOYSA-M
Molecular Formula	C7H11ClN2

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