Cas no 192326-09-3 (2-ethyl-1H-Benzimidazole-6-carboxylic acid ethyl ester)
192326-09-3 structure
Product Name:2-ethyl-1H-Benzimidazole-6-carboxylic acid ethyl ester
CAS No:192326-09-3
MF:C12H14N2O2
MW:218.251762866974
CID:1108419
PubChem ID:20098143
Update Time:2025-04-20
2-ethyl-1H-Benzimidazole-6-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-1H-Benzimidazole-6-carboxylic acid ethyl ester
- ethyl 2-ethyl-3H-benzimidazole-5-carboxylate
- 192326-09-3
- Butyl 1H-benzo[d]imidazole-5-carboxylate
- SCHEMBL9178130
-
- Inchi： 1S/C12H14N2O2/c1-2-3-6-16-12(15)9-4-5-10-11(7-9)14-8-13-10/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)
- InChI Key： SSCSARRAUZTRNZ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC2=C(C=1)NC=N2)=O)CCCC
Computed Properties
- Exact Mass: 218.105527694g/mol
- Monoisotopic Mass: 218.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- 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: 2.9
- Topological Polar Surface Area: 55?2
2-ethyl-1H-Benzimidazole-6-carboxylic acid ethyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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