Cas no 245096-16-6 (1H-Benzimidazole-7-carbonitrile,5-methyl-)
245096-16-6 structure
Product Name:1H-Benzimidazole-7-carbonitrile,5-methyl-
CAS No:245096-16-6
MF:C9H7N3
MW:157.171981096268
CID:245931
PubChem ID:45077939
Update Time:2025-04-19
1H-Benzimidazole-7-carbonitrile,5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-7-carbonitrile,5-methyl-
- 1H-Benzimidazole-4-carbonitrile,6-methyl- (9CI)
- 6-methyl-1H-benzimidazole-4-carbonitrile
- 5-Methyl-1H-benzo[d]imidazole-7-carbonitrile
- 245096-16-6
- SCHEMBL19627519
-
- Inchi： 1S/C9H7N3/c1-6-2-7(4-10)9-8(3-6)11-5-12-9/h2-3,5H,1H3,(H,11,12)
- InChI Key： MFENPRHEDOVUSH-UHFFFAOYSA-N
- SMILES： N1C=NC2C(C#N)=CC(C)=CC1=2
Computed Properties
- Exact Mass: 157.06411
- Monoisotopic Mass: 157.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 217
- 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: 1.6
Experimental Properties
- PSA: 52.47
1H-Benzimidazole-7-carbonitrile,5-methyl- Related Literature
-
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
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
245096-16-6 (1H-Benzimidazole-7-carbonitrile,5-methyl-) Related Products
- 64574-21-6(1H-Benzodimidazole-4-carbonitrile)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
