Cas no 745048-56-0 (1H-Benzimidazole-4-carboxylic acid, 7-methyl- (9CI))
745048-56-0 structure
Product Name:1H-Benzimidazole-4-carboxylic acid, 7-methyl- (9CI)
CAS No:745048-56-0
MF:C9H8N2O2
MW:176.172021865845
CID:560670
PubChem ID:11819553
Update Time:2025-04-19
1H-Benzimidazole-4-carboxylic acid, 7-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-4-carboxylic acid, 7-methyl- (9CI)
- 1H-Benzimidazole-7-carboxylicacid, 4-methyl-
- 7-methyl-3H-benzimidazole-4-carboxylic acid
- 7-Methyl-1H-benzimidazole-4-carboxylic acid
- 745048-56-0
- ITRPGAZEZJLAIX-UHFFFAOYSA-N
- SCHEMBL1355302
- DTXSID00473715
- 1H-Benzimidazole-4-carboxylic acid,7-methyl-(9ci)
- SCHEMBL14035178
- 4-Methyl-1H-benzimidazole-7-carboxylic acid
-
- Inchi： 1S/C9H8N2O2/c1-5-2-3-6(9(12)13)8-7(5)10-4-11-8/h2-4H,1H3,(H,10,11)(H,12,13)
- InChI Key： ITRPGAZEZJLAIX-UHFFFAOYSA-N
- SMILES： OC(C1=CC=C(C)C2=C1NC=N2)=O
Computed Properties
- Exact Mass: 176.058577502g/mol
- Monoisotopic Mass: 176.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 220
- 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
- Surface Charge: 0
- Tautomer Count: 8
- XLogP3: 1.4
- Topological Polar Surface Area: 66?2
1H-Benzimidazole-4-carboxylic acid, 7-methyl- (9CI) Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
745048-56-0 (1H-Benzimidazole-4-carboxylic acid, 7-methyl- (9CI)) Related Products
- 46006-36-4(1H-1,3-benzodiazole-4-carboxylic acid)
- 37619-25-3(methyl 1H-1,3-benzodiazole-4-carboxylate)
- 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)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 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)
Recommended suppliers
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
