Imidazoles

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

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1 – 15 of 158 results

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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

Imidazole-4-acetic acid monohydrochloride, 97%

CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.57 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride SMILES: Cl.OC(=O)CC1=CN=CN1

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PubChem CID	145685
CAS	3251-69-2
Molecular Weight (g/mol)	162.57
MDL Number	MFCD00012698
SMILES	Cl.OC(=O)CC1=CN=CN1
Synonym	4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao
IUPAC Name	2-(1H-imidazol-5-yl)acetic acid;hydrochloride
InChI Key	MWHLCFYPFGFBQO-UHFFFAOYSA-N
Molecular Formula	C5H7ClN2O2

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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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Specifications

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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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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Ethyl imidazole-4-carboxylate, 98%

CAS: 23785-21-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD02646639,MFCD07363812 InChI Key: KLWYPRNPRNPORS-UHFFFAOYSA-N Synonym: ethyl 1h-imidazole-4-carboxylate,ethyl imidazole-4-carboxylate,ethyl 4-imidazolecarboxylate,ethyl 4 5-imidazolecarboxylate,4-carbethoxyimidazole,1h-imidazole-4-carboxylic acid ethyl ester,nic7lr0zon,unii-nic7lr0zon,imidazole-4-carboxylic acid ethyl ester,1h-imidazole-4-carboxylic acid, ethyl ester PubChem CID: 99170 IUPAC Name: ethyl 1H-imidazole-5-carboxylate SMILES: CCOC(=O)C1=CN=CN1

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Specifications

PubChem CID	99170
CAS	23785-21-9
Molecular Weight (g/mol)	140.14
MDL Number	MFCD02646639,MFCD07363812
SMILES	CCOC(=O)C1=CN=CN1
Synonym	ethyl 1h-imidazole-4-carboxylate,ethyl imidazole-4-carboxylate,ethyl 4-imidazolecarboxylate,ethyl 4 5-imidazolecarboxylate,4-carbethoxyimidazole,1h-imidazole-4-carboxylic acid ethyl ester,nic7lr0zon,unii-nic7lr0zon,imidazole-4-carboxylic acid ethyl ester,1h-imidazole-4-carboxylic acid, ethyl ester
IUPAC Name	ethyl 1H-imidazole-5-carboxylate
InChI Key	KLWYPRNPRNPORS-UHFFFAOYSA-N
Molecular Formula	C6H8N2O2

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1-Boc-imidazole, 98%

CAS: 49761-82-2 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.196 MDL Number: MFCD00014497 InChI Key: MTBKGWHHOBJMHJ-UHFFFAOYSA-N Synonym: n-boc-imidazole,tert-butyl 1h-imidazole-1-carboxylate,n-tert-butoxycarbonylimidazole,1-tert-butoxycarbonyl imidazole,1h-imidazole-1-carboxylic acid, 1,1-dimethylethyl ester,imidazole-1-carboxylic acid tert-butyl ester,tert-butyl imidazolecarboxylate,1-boc-imidazole,acmc-209ki1,ksc237k5p PubChem CID: 521262 IUPAC Name: tert-butyl imidazole-1-carboxylate SMILES: CC(C)(C)OC(=O)N1C=CN=C1

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Specifications

PubChem CID	521262
CAS	49761-82-2
Molecular Weight (g/mol)	168.196
MDL Number	MFCD00014497
SMILES	CC(C)(C)OC(=O)N1C=CN=C1
Synonym	n-boc-imidazole,tert-butyl 1h-imidazole-1-carboxylate,n-tert-butoxycarbonylimidazole,1-tert-butoxycarbonyl imidazole,1h-imidazole-1-carboxylic acid, 1,1-dimethylethyl ester,imidazole-1-carboxylic acid tert-butyl ester,tert-butyl imidazolecarboxylate,1-boc-imidazole,acmc-209ki1,ksc237k5p
IUPAC Name	tert-butyl imidazole-1-carboxylate
InChI Key	MTBKGWHHOBJMHJ-UHFFFAOYSA-N
Molecular Formula	C8H12N2O2

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1-Vinylimidazole, 99%

CAS: 1072-63-5 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.12 MDL Number: MFCD00005297 InChI Key: OSSNTDFYBPYIEC-UHFFFAOYSA-N Synonym: 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer PubChem CID: 66171 SMILES: C=CN1C=CN=C1

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PubChem CID	66171
CAS	1072-63-5
Molecular Weight (g/mol)	94.12
MDL Number	MFCD00005297
SMILES	C=CN1C=CN=C1
Synonym	1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer
InChI Key	OSSNTDFYBPYIEC-UHFFFAOYSA-N
Molecular Formula	C5H6N2

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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

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4-(1-Imidazolyl)phenol, 97%

CAS: 10041-02-8 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00005281 InChI Key: CYKCUAPYWQDIKR-UHFFFAOYSA-N Synonym: 4-imidazol-1-yl phenol,4-1h-imidazol-1-yl phenol,4-imidazol-1-yl-phenol,4-1-imidazolyl phenol,1-p-hydroxyphenyl imidazole,phenol, 4-1h-imidazol-1-yl,1-4-hydroxyphenyl imidazole,4-imidazolylphenol,4‐ 1h‐imidazol‐1‐yl phenol compound 1,p-1-imidazolyl phenol PubChem CID: 82315 IUPAC Name: 4-imidazol-1-ylphenol SMILES: OC1=CC=C(C=C1)N1C=CN=C1

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Specifications

PubChem CID	82315
CAS	10041-02-8
Molecular Weight (g/mol)	160.18
MDL Number	MFCD00005281
SMILES	OC1=CC=C(C=C1)N1C=CN=C1
Synonym	4-imidazol-1-yl phenol,4-1h-imidazol-1-yl phenol,4-imidazol-1-yl-phenol,4-1-imidazolyl phenol,1-p-hydroxyphenyl imidazole,phenol, 4-1h-imidazol-1-yl,1-4-hydroxyphenyl imidazole,4-imidazolylphenol,4‐ 1h‐imidazol‐1‐yl phenol compound 1,p-1-imidazolyl phenol
IUPAC Name	4-imidazol-1-ylphenol
InChI Key	CYKCUAPYWQDIKR-UHFFFAOYSA-N
Molecular Formula	C9H8N2O

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Imidazole-4-carboxaldehyde, 97%

CAS: 3034-50-2 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00173726 InChI Key: ZQEXIXXJFSQPNA-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde PubChem CID: 76428 IUPAC Name: 1H-imidazole-5-carbaldehyde SMILES: C1=C(NC=N1)C=O

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Specifications

PubChem CID	76428
CAS	3034-50-2
Molecular Weight (g/mol)	96.089
MDL Number	MFCD00173726
SMILES	C1=C(NC=N1)C=O
Synonym	1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde
IUPAC Name	1H-imidazole-5-carbaldehyde
InChI Key	ZQEXIXXJFSQPNA-UHFFFAOYSA-N
Molecular Formula	C4H4N2O

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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-Ethyl-3-methylimidazolium acetate, 97%

CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]

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Specifications

PubChem CID	11658353
CAS	143314-17-4
Molecular Weight (g/mol)	170.212
MDL Number	MFCD06798186
SMILES	CCN1C=C[N+](=C1)C.CC(=O)[O-]
Synonym	1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc
IUPAC Name	1-ethyl-3-methylimidazol-3-ium;acetate
InChI Key	XIYUIMLQTKODPS-UHFFFAOYSA-M
Molecular Formula	C8H14N2O2

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2-Bromo-5-nitroimidazole, 98%

CAS: 65902-59-2 Molecular Formula: C3H2BrN3O2 Molecular Weight (g/mol): 191.972 MDL Number: MFCD09038915 InChI Key: UWRJWMLKEHRGOH-UHFFFAOYSA-N Synonym: 2-bromo-4-nitroimidazole,2-bromo-4-nitro-1h-imidazole,2-bromo-4-nitro-3h-imidazole,2-bromo-5-nitroimidazole,1h-imidazole, 2-bromo-4-nitro,nitrobromoimidazole,pubchem20161,acmc-20aiz1,acmc-1b2vr PubChem CID: 47754 IUPAC Name: 2-bromo-5-nitro-1H-imidazole SMILES: C1=C(NC(=N1)Br)[N+](=O)[O-]

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Specifications

PubChem CID	47754
CAS	65902-59-2
Molecular Weight (g/mol)	191.972
MDL Number	MFCD09038915
SMILES	C1=C(NC(=N1)Br)[N+](=O)[O-]
Synonym	2-bromo-4-nitroimidazole,2-bromo-4-nitro-1h-imidazole,2-bromo-4-nitro-3h-imidazole,2-bromo-5-nitroimidazole,1h-imidazole, 2-bromo-4-nitro,nitrobromoimidazole,pubchem20161,acmc-20aiz1,acmc-1b2vr
IUPAC Name	2-bromo-5-nitro-1H-imidazole
InChI Key	UWRJWMLKEHRGOH-UHFFFAOYSA-N
Molecular Formula	C3H2BrN3O2

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Ethyl 1-methylimidazole-2-carboxylate, 95%, Thermo Scientific™

CAS: 30148-21-1 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD02683326 InChI Key: NOTZYDYZBOBDFE-UHFFFAOYSA-N Synonym: ethyl 1-methyl-1h-imidazole-2-carboxylate,ethyl1-methylimidazole-2-carboxylate,1-methyl-1h-imidazole-2-carboxylic acid ethyl ester,1h-imidazole-2-carboxylic acid, 1-methyl-, ethyl ester,pubchem22681,ethy 1-methylimidazole-2-carboxylate,ethyl 1-methyl-imidazole-2-carboxylate,1-methylimidazole-2-carboxylic acid ethyl ester,1-methyl-1h-imidazole-2-carboxylic acid, ethyl ester,1h-imidazole-2-carboxylicacid, 1-methyl-, ethyl ester PubChem CID: 4261883 IUPAC Name: ethyl 1-methylimidazole-2-carboxylate SMILES: CCOC(=O)C1=NC=CN1C

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Specifications

PubChem CID	4261883
CAS	30148-21-1
Molecular Weight (g/mol)	154.17
MDL Number	MFCD02683326
SMILES	CCOC(=O)C1=NC=CN1C
Synonym	ethyl 1-methyl-1h-imidazole-2-carboxylate,ethyl1-methylimidazole-2-carboxylate,1-methyl-1h-imidazole-2-carboxylic acid ethyl ester,1h-imidazole-2-carboxylic acid, 1-methyl-, ethyl ester,pubchem22681,ethy 1-methylimidazole-2-carboxylate,ethyl 1-methyl-imidazole-2-carboxylate,1-methylimidazole-2-carboxylic acid ethyl ester,1-methyl-1h-imidazole-2-carboxylic acid, ethyl ester,1h-imidazole-2-carboxylicacid, 1-methyl-, ethyl ester
IUPAC Name	ethyl 1-methylimidazole-2-carboxylate
InChI Key	NOTZYDYZBOBDFE-UHFFFAOYSA-N
Molecular Formula	C7H10N2O2

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