Cas no 87802-10-6 (1H-Benzimidazole-2-carboxylic acid, 1,5-dimethyl-, methyl ester)
87802-10-6 structure
Product Name:1H-Benzimidazole-2-carboxylic acid, 1,5-dimethyl-, methyl ester
CAS No:87802-10-6
MF:C11H12N2O2
MW:204.225182533264
CID:652233
PubChem ID:71412105
Update Time:2025-04-19
1H-Benzimidazole-2-carboxylic acid, 1,5-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-carboxylic acid, 1,5-dimethyl-, methyl ester
- methyl 1,5-dimethylbenzimidazole-2-carboxylate
- DTXSID80831677
- Methyl 1,5-dimethyl-1H-benzimidazole-2-carboxylate
- 87802-10-6
-
- Inchi： 1S/C11H12N2O2/c1-7-4-5-9-8(6-7)12-10(13(9)2)11(14)15-3/h4-6H,1-3H3
- InChI Key： CMZSMPGKFRACGE-UHFFFAOYSA-N
- SMILES： O(C)C(C1=NC2C=C(C)C=CC=2N1C)=O
Computed Properties
- Exact Mass: 204.089877630g/mol
- Monoisotopic Mass: 204.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 257
- 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
- Topological Polar Surface Area: 44.1?2
1H-Benzimidazole-2-carboxylic acid, 1,5-dimethyl-, methyl ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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