Cas no 717-37-3 (2-methyl-1H-Benzimidazole-6-carboxylic acid ethyl ester)
717-37-3 structure
Product Name:2-methyl-1H-Benzimidazole-6-carboxylic acid ethyl ester
CAS No:717-37-3
MF:C11H12N2O2
MW:204.225182533264
CID:1116522
PubChem ID:15185606
Update Time:2025-04-20
2-methyl-1H-Benzimidazole-6-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-1H-Benzimidazole-6-carboxylic acid ethyl ester
- 2-METHYL-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
- 2-Methyl-1H-benzimidazole-5-carbonitrile
- 2-Methyl-5-cyan-benzimidazol
- 2-Methyl-5-ethoxycarbonyl-benzimidazol
- 2-METHYLBENZIMIDAZOLE-5-CARBONITRILE
- 5-CYANO-2-METHYL-BENZIMIDAZOLE
- 5-ethoxycarbonyl-2-methylbenzimidazole
- ethyl 2-methyl-1H-benzimidazole-5-carboxylate
- CHEMBL482643
- SCHEMBL6169066
- HVEHULVPFMWQAB-UHFFFAOYSA-N
- ethyl 2-methyl-3H-benzimidazole-5-carboxylate
- AKOS023136795
- Ethyl 2-methyl-1H-benzo[d]imidazole-6-carboxylate
- ethyl 2-methyl-1H-1,3-benzimidazole-5-carboxylate
- 717-37-3
- DB-157481
-
- Inchi： 1S/C11H12N2O2/c1-3-15-11(14)8-4-5-9-10(6-8)13-7(2)12-9/h4-6H,3H2,1-2H3,(H,12,13)
- InChI Key： HVEHULVPFMWQAB-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC2=C(C=1)NC(C)=N2)=O
Computed Properties
- Exact Mass: 204.09000
- Monoisotopic Mass: 204.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 245
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 54.98000
- LogP: 2.04800
2-methyl-1H-Benzimidazole-6-carboxylic acid ethyl ester Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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