Imidazoles

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

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1-(4-Methoxyphenyl)imidazole, 98%

CAS: 10040-95-6 Molecular Formula: C10H10N2O Molecular Weight (g/mol): 174.203 MDL Number: MFCD00060492 InChI Key: XNLOIFUGGCCEQX-UHFFFAOYSA-N PubChem CID: 82328 IUPAC Name: 1-(4-methoxyphenyl)imidazole SMILES: COC1=CC=C(C=C1)N2C=CN=C2

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PubChem CID	82328
CAS	10040-95-6
Molecular Weight (g/mol)	174.203
MDL Number	MFCD00060492
SMILES	COC1=CC=C(C=C1)N2C=CN=C2
IUPAC Name	1-(4-methoxyphenyl)imidazole
InChI Key	XNLOIFUGGCCEQX-UHFFFAOYSA-N
Molecular Formula	C10H10N2O

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2,5-Diiodo-1-methylimidazole, 98%, Thermo Scientific Chemicals

CAS: 86026-81-5 Molecular Formula: C4H4I2N2 Molecular Weight (g/mol): 333.899 MDL Number: MFCD02179540 InChI Key: SZYKHAFVWJNSQU-UHFFFAOYSA-N PubChem CID: 335838 IUPAC Name: 2,5-diiodo-1-methylimidazole SMILES: CN1C(=CN=C1I)I

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Specifications

PubChem CID	335838
CAS	86026-81-5
Molecular Weight (g/mol)	333.899
MDL Number	MFCD02179540
SMILES	CN1C(=CN=C1I)I
IUPAC Name	2,5-diiodo-1-methylimidazole
InChI Key	SZYKHAFVWJNSQU-UHFFFAOYSA-N
Molecular Formula	C4H4I2N2

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1,3-bis(2,6-diisopropylphenyl)imidazolium chloride, 97%

CAS: 250285-32-6 Molecular Formula: C27H37ClN2 Molecular Weight (g/mol): 425.06 MDL Number: MFCD02684545 InChI Key: AVJBQMXODCVJCJ-UHFFFAOYSA-M Synonym: 1,3-bis 2,6-diisopropylphenyl imidazolium chloride,1,3-bis 2,6-diisopropylphenyl-1h-imidazol-3-ium chloride,1,3-bis 2,6-di-i-propylphenyl imidazolium chloride,ipr hcl,2,5-bis 2,6-diisopropylphenyl imidazolium chloride,ipr.hcl,1,3-bis 2,6-bis 1-methylethyl phenyl-1h-imidazolium chloride,1,3-bis 2,6-di-i-propylphenyl imidazoliumchloride,1,3-bis-2,6-diisopropyl-phenyl-3h-imidazol-1-ium chloride,1,3-bis 2,6-bis prop-2-yl phenyl-1h-imidazol-3-ium chloride PubChem CID: 2734913 IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride SMILES: [Cl-].CC(C)C1=CC=CC(C(C)C)=C1N1C=C[N+](=C1)C1=C(C=CC=C1C(C)C)C(C)C

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PubChem CID	2734913
CAS	250285-32-6
Molecular Weight (g/mol)	425.06
MDL Number	MFCD02684545
SMILES	[Cl-].CC(C)C1=CC=CC(C(C)C)=C1N1C=C[N+](=C1)C1=C(C=CC=C1C(C)C)C(C)C
Synonym	1,3-bis 2,6-diisopropylphenyl imidazolium chloride,1,3-bis 2,6-diisopropylphenyl-1h-imidazol-3-ium chloride,1,3-bis 2,6-di-i-propylphenyl imidazolium chloride,ipr hcl,2,5-bis 2,6-diisopropylphenyl imidazolium chloride,ipr.hcl,1,3-bis 2,6-bis 1-methylethyl phenyl-1h-imidazolium chloride,1,3-bis 2,6-di-i-propylphenyl imidazoliumchloride,1,3-bis-2,6-diisopropyl-phenyl-3h-imidazol-1-ium chloride,1,3-bis 2,6-bis prop-2-yl phenyl-1h-imidazol-3-ium chloride
IUPAC Name	1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride
InChI Key	AVJBQMXODCVJCJ-UHFFFAOYSA-M
Molecular Formula	C27H37ClN2

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1-Ethyl-3-methylimidazolium hexafluorophosphate, 98+%

CAS: 155371-19-0 Molecular Formula: C6H11F6N2P Molecular Weight (g/mol): 256.132 MDL Number: MFCD00216703 InChI Key: DPDAKOVGQUGTHH-UHFFFAOYSA-N Synonym: 1-ethyl-3-methylimidazolium hexafluorophosphate,1-ethyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,emimpf6,dsstox_cid_27897,dsstox_rid_82650,dsstox_gsid_47921,ksc174g8p,1-ethyl-3-methylimidazol-3-ium hexafluorophosphate,1-ethyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate,1-ethyl-3-methylimidazolium hexafluorophosphate hplc PubChem CID: 2758873 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;hexafluorophosphate SMILES: CCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F

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Specifications

PubChem CID	2758873
CAS	155371-19-0
Molecular Weight (g/mol)	256.132
MDL Number	MFCD00216703
SMILES	CCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
Synonym	1-ethyl-3-methylimidazolium hexafluorophosphate,1-ethyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,emimpf6,dsstox_cid_27897,dsstox_rid_82650,dsstox_gsid_47921,ksc174g8p,1-ethyl-3-methylimidazol-3-ium hexafluorophosphate,1-ethyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate,1-ethyl-3-methylimidazolium hexafluorophosphate hplc
IUPAC Name	1-ethyl-3-methylimidazol-3-ium;hexafluorophosphate
InChI Key	DPDAKOVGQUGTHH-UHFFFAOYSA-N
Molecular Formula	C6H11F6N2P

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1,2-Dimethyl-5-nitroimidazole, 98%

CAS: 551-92-8 Molecular Formula: C5H7N3O2 Molecular Weight (g/mol): 141.13 MDL Number: MFCD00047046 InChI Key: IBXPYPUJPLLOIN-UHFFFAOYSA-N Synonym: dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo PubChem CID: 3090 IUPAC Name: 1,2-dimethyl-5-nitroimidazole SMILES: CN1C(C)=NC=C1[N+]([O-])=O

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Specifications

PubChem CID	3090
CAS	551-92-8
Molecular Weight (g/mol)	141.13
MDL Number	MFCD00047046
SMILES	CN1C(C)=NC=C1[N+]([O-])=O
Synonym	dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo
IUPAC Name	1,2-dimethyl-5-nitroimidazole
InChI Key	IBXPYPUJPLLOIN-UHFFFAOYSA-N
Molecular Formula	C5H7N3O2

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1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 SMILES: CN1C=CN=C1

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Specifications

PubChem CID	1390
CAS	616-47-7
Molecular Weight (g/mol)	82.11
ChEBI	CHEBI:113454
MDL Number	MFCD00005292
SMILES	CN1C=CN=C1
Synonym	1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
InChI Key	MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula	C4H6N2

Acycloguanosine, 98%

CAS: 59277-89-3 Molecular Formula: C8H11N5O3 Molecular Weight (g/mol): 225.21 MDL Number: MFCD00057880 InChI Key: MKUXAQIIEYXACX-UHFFFAOYSA-N Synonym: acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum PubChem CID: 2022 ChEBI: CHEBI:2453 IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one SMILES: NC1=NC2=C(N=CN2COCCO)C(=O)N1

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Specifications

PubChem CID	2022
CAS	59277-89-3
Molecular Weight (g/mol)	225.21
ChEBI	CHEBI:2453
MDL Number	MFCD00057880
SMILES	NC1=NC2=C(N=CN2COCCO)C(=O)N1
Synonym	acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum
IUPAC Name	2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
InChI Key	MKUXAQIIEYXACX-UHFFFAOYSA-N
Molecular Formula	C8H11N5O3

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1-n-Butyl-3-methylimidazolium dicyanamide, 97%

CAS: 448245-52-1 Molecular Formula: C10H15N5 Molecular Weight (g/mol): 205.265 MDL Number: MFCD07784457 InChI Key: ICIVTHOGIQHZRY-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium dicyanamide,1-butyl-3-methylimidazolium dicyamide,1-butyl-3-methylimidazolium; dicyanoazanide,bmim dca,dsstox_cid_27886,dsstox_rid_82639,dsstox_gsid_47910,c4mim; dicyanoazanide,1-butyl-3-methyl-1h-imidazol-3-ium cyanoimino methylidene azanide,1-butyl-3-methylimidazolium; cyanoimino methylidene azanide PubChem CID: 11171745 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide SMILES: CCCCN1C=C[N+](=C1)C.C(=[N-])=NC#N

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Specifications

PubChem CID	11171745
CAS	448245-52-1
Molecular Weight (g/mol)	205.265
MDL Number	MFCD07784457
SMILES	CCCCN1C=C[N+](=C1)C.C(=[N-])=NC#N
Synonym	1-butyl-3-methylimidazolium dicyanamide,1-butyl-3-methylimidazolium dicyamide,1-butyl-3-methylimidazolium; dicyanoazanide,bmim dca,dsstox_cid_27886,dsstox_rid_82639,dsstox_gsid_47910,c4mim; dicyanoazanide,1-butyl-3-methyl-1h-imidazol-3-ium cyanoimino methylidene azanide,1-butyl-3-methylimidazolium; cyanoimino methylidene azanide
IUPAC Name	1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide
InChI Key	ICIVTHOGIQHZRY-UHFFFAOYSA-N
Molecular Formula	C10H15N5

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1-Benzylimidazole, 99%

CAS: 4238-71-5 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00005296 InChI Key: KKKDZZRICRFGSD-UHFFFAOYSA-N Synonym: 1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole PubChem CID: 77918 IUPAC Name: 1-benzylimidazole SMILES: C(N1C=CN=C1)C1=CC=CC=C1

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Specifications

PubChem CID	77918
CAS	4238-71-5
Molecular Weight (g/mol)	158.20
MDL Number	MFCD00005296
SMILES	C(N1C=CN=C1)C1=CC=CC=C1
Synonym	1-benzyl-1h-imidazole,n-benzylimidazole,imidazole, 1-benzyl,benzylimidazole,1h-imidazole, 1-phenylmethyl,1-benzyl imidazole,ccris 5821,chembl14192,1bn,1-benzylimdazole
IUPAC Name	1-benzylimidazole
InChI Key	KKKDZZRICRFGSD-UHFFFAOYSA-N
Molecular Formula	C10H10N2

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1,2-Dimethylimidazole, 96+%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C

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Specifications

PubChem CID	15617
CAS	1739-84-0
Molecular Weight (g/mol)	96.13
MDL Number	MFCD00005294
SMILES	CN1C=CN=C1C
Synonym	1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole
IUPAC Name	1,2-dimethylimidazole
InChI Key	GIWQSPITLQVMSG-UHFFFAOYSA-N
Molecular Formula	C5H8N2

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2-Amino-1-methylbenzimidazole, 98+%

CAS: 1622-57-7 Molecular Formula: C8H9N3 Molecular Weight (g/mol): 147.18 MDL Number: MFCD00142855 InChI Key: XDFZKQJLNGNJAN-UHFFFAOYSA-N Synonym: 2-amino-1-methylbenzimidazole,1-methyl-1h-benzimidazol-2-amine,1-methyl-1h-benzo d imidazol-2-amine,1-methyl-2-aminobenzimidazole,1h-benzimidazol-2-amine, 1-methyl,1-methyl-1h-1,3-benzodiazol-2-amine,ccris 4355,2-amino-1-methyl-benzimidazole,1h-benzimidazol-2-amine,1-methyl,1-methyl-1h-benzoimidazol-2-ylamine PubChem CID: 74187 IUPAC Name: 1-methylbenzimidazol-2-amine SMILES: CN1C(N)=NC2=CC=CC=C12

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Specifications

PubChem CID	74187
CAS	1622-57-7
Molecular Weight (g/mol)	147.18
MDL Number	MFCD00142855
SMILES	CN1C(N)=NC2=CC=CC=C12
Synonym	2-amino-1-methylbenzimidazole,1-methyl-1h-benzimidazol-2-amine,1-methyl-1h-benzo d imidazol-2-amine,1-methyl-2-aminobenzimidazole,1h-benzimidazol-2-amine, 1-methyl,1-methyl-1h-1,3-benzodiazol-2-amine,ccris 4355,2-amino-1-methyl-benzimidazole,1h-benzimidazol-2-amine,1-methyl,1-methyl-1h-benzoimidazol-2-ylamine
IUPAC Name	1-methylbenzimidazol-2-amine
InChI Key	XDFZKQJLNGNJAN-UHFFFAOYSA-N
Molecular Formula	C8H9N3

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1,1'-Sulfonyldiimidazole, 98+%

CAS: 7189-69-7 Molecular Formula: C6H6N4O2S Molecular Weight (g/mol): 198.20 MDL Number: MFCD00015893 InChI Key: ZLKNPIVTWNMMMH-UHFFFAOYSA-N Synonym: 1,1'-sulfonyldiimidazole,1,1'-sulfonylbis 1h-imidazole,n,n'-sulfonyldiimidazole sdi,1,1'-sulphonylbis-1h-imidazole,1-1h-imidazole-1-sulfonyl-1h-imidazole,1h-imidazole, 1,1'-sulfonylbis,n,n'-sulfuryldiimidazole,1-imidazole-1-sulfonyl imidazole,1,1-sulfonyldiimidazole PubChem CID: 81609 IUPAC Name: 1-imidazol-1-ylsulfonylimidazole SMILES: O=S(=O)(N1C=CN=C1)N1C=CN=C1

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Specifications

PubChem CID	81609
CAS	7189-69-7
Molecular Weight (g/mol)	198.20
MDL Number	MFCD00015893
SMILES	O=S(=O)(N1C=CN=C1)N1C=CN=C1
Synonym	1,1'-sulfonyldiimidazole,1,1'-sulfonylbis 1h-imidazole,n,n'-sulfonyldiimidazole sdi,1,1'-sulphonylbis-1h-imidazole,1-1h-imidazole-1-sulfonyl-1h-imidazole,1h-imidazole, 1,1'-sulfonylbis,n,n'-sulfuryldiimidazole,1-imidazole-1-sulfonyl imidazole,1,1-sulfonyldiimidazole
IUPAC Name	1-imidazol-1-ylsulfonylimidazole
InChI Key	ZLKNPIVTWNMMMH-UHFFFAOYSA-N
Molecular Formula	C6H6N4O2S

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N(2),9-Diacetylguanine, 99%

CAS: 3056-33-5 Molecular Formula: C9H9N5O3 Molecular Weight (g/mol): 235.20 MDL Number: MFCD00142116 InChI Key: GILZZWCROUGLIS-UHFFFAOYSA-N Synonym: n2,9-diacetylguanine,n,9-diacetylguanine,n 2 ,9-diacetylguanine,2,9-diacetylguanine,2,9-diacetateguanine,n-9-acetyl-6-oxo-6,9-dihydro-1h-purin-2-yl acetamide,unii-vuw2b9yr95,2,9-diacetyl guanine,vuw2b9yr95,n-9-acetyl-6-oxo-3h-purin-2-yl acetamide 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
Synonym	n2,9-diacetylguanine,n,9-diacetylguanine,n 2 ,9-diacetylguanine,2,9-diacetylguanine,2,9-diacetateguanine,n-9-acetyl-6-oxo-6,9-dihydro-1h-purin-2-yl acetamide,unii-vuw2b9yr95,2,9-diacetyl guanine,vuw2b9yr95,n-9-acetyl-6-oxo-3h-purin-2-yl acetamide
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-Methylbenzimidazole, 99%

CAS: 1632-83-3 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00192275 InChI Key: FGYADSCZTQOAFK-UHFFFAOYSA-N Synonym: 1-methyl-1h-benzimidazole,1h-benzimidazole, 1-methyl,methylbenzimidazole,unii-12lw89n19y,1-methyl-1h-benzo d imidazole,1h-benzimidazole, methyl,1-methyl-1,3-benzodiazole,1-methyl-1h-1,3-benzodiazole,pubchem7613,1-methylbenzimidazole PubChem CID: 95890 SMILES: CN1C=NC2=CC=CC=C12

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Specifications

PubChem CID	95890
CAS	1632-83-3
Molecular Weight (g/mol)	132.17
MDL Number	MFCD00192275
SMILES	CN1C=NC2=CC=CC=C12
Synonym	1-methyl-1h-benzimidazole,1h-benzimidazole, 1-methyl,methylbenzimidazole,unii-12lw89n19y,1-methyl-1h-benzo d imidazole,1h-benzimidazole, methyl,1-methyl-1,3-benzodiazole,1-methyl-1h-1,3-benzodiazole,pubchem7613,1-methylbenzimidazole
InChI Key	FGYADSCZTQOAFK-UHFFFAOYSA-N
Molecular Formula	C8H8N2

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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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