Cas no 355829-91-3 (1H-Benzimidazole-2-acetonitrile,5,7-dimethyl-)
355829-91-3 structure
Product Name:1H-Benzimidazole-2-acetonitrile,5,7-dimethyl-
CAS No:355829-91-3
MF:C11H11N3
MW:185.225141763687
CID:303139
PubChem ID:21407552
Update Time:2025-04-19
1H-Benzimidazole-2-acetonitrile,5,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-acetonitrile,5,7-dimethyl-
- 1H-Benzimidazole-2-acetonitrile,4,6-dimethyl- (9CI)
- AKOS000445022
- SCHEMBL11749723
- 355829-91-3
- 2-(4,6-Dimethyl-1H-benzo[d]imidazol-2-yl)acetonitrile
-
- Inchi： 1S/C11H11N3/c1-7-5-8(2)11-9(6-7)13-10(14-11)3-4-12/h5-6H,3H2,1-2H3,(H,13,14)
- InChI Key： LMIWJLNCQMQESB-UHFFFAOYSA-N
- SMILES： N1C(CC#N)=NC2C(C)=CC(C)=CC1=2
Computed Properties
- Exact Mass: 185.09543
- Monoisotopic Mass: 185.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 255
- 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
- Topological Polar Surface Area: 52.5A^2
- XLogP3: 1.9
Experimental Properties
- PSA: 52.47
1H-Benzimidazole-2-acetonitrile,5,7-dimethyl- Related Literature
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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