Cas no 17582-97-7 (1H-Benzimidazole,1-ethyl-5-methyl-)
17582-97-7 structure
Product Name:1H-Benzimidazole,1-ethyl-5-methyl-
CAS No:17582-97-7
MF:C10H12N2
MW:160.215682029724
CID:122423
PubChem ID:14243608
Update Time:2025-04-18
1H-Benzimidazole,1-ethyl-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,1-ethyl-5-methyl-
- Benzimidazole, 1-ethyl-5-methyl- (8CI)
- SCHEMBL10600757
- 1-Ethyl-5-methyl-1H-benzo[d]imidazole
- 1-ethyl-5-methylbenzimidazole
- 17582-97-7
-
- Inchi： 1S/C10H12N2/c1-3-12-7-11-9-6-8(2)4-5-10(9)12/h4-7H,3H2,1-2H3
- InChI Key： BPHPQBJNVMVWQP-UHFFFAOYSA-N
- SMILES： N1(C=NC2C=C(C)C=CC1=2)CC
Computed Properties
- Exact Mass: 160.10016
- Monoisotopic Mass: 160.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 158
- 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: 2.1
- Topological Polar Surface Area: 17.8?2
Experimental Properties
- PSA: 17.82
1H-Benzimidazole,1-ethyl-5-methyl- Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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