Cas no 5059-50-7 (1H-Benzimidazole,2-heptyl-6-methyl-)
5059-50-7 structure
Product Name:1H-Benzimidazole,2-heptyl-6-methyl-
CAS No:5059-50-7
MF:C15H22N2
MW:230.348583698273
CID:369849
PubChem ID:134585
Update Time:2025-04-19
1H-Benzimidazole,2-heptyl-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,2-heptyl-6-methyl-
- 1H-Benzimidazole, 2-heptyl-5-methyl-
- 2-heptyl-5-methyl-1H-benzimidazole
- DTXSID20964817
- AKOS012705887
- AKOS006201705
- BDBM50404904
- 5059-50-7
- 2-Hepta-5-methylbenzimidazole
- 2-heptyl-6-methyl-1H-benzimidazole
- CHEMBL170910
- SCHEMBL9721019
-
- Inchi： 1S/C15H22N2/c1-3-4-5-6-7-8-15-16-13-10-9-12(2)11-14(13)17-15/h9-11H,3-8H2,1-2H3,(H,16,17)
- InChI Key： SKQXYXHRRHGZHU-UHFFFAOYSA-N
- SMILES： N1C2C=C(C)C=CC=2N=C1CCCCCCC
Computed Properties
- Exact Mass: 230.17846
- Monoisotopic Mass: 230.178299
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- 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
- XLogP3: 5
- Topological Polar Surface Area: 28.7
Experimental Properties
- Density: 1.016
- Boiling Point: 408.2°C at 760 mmHg
- Flash Point: 201.2°C
- Refractive Index: 1.567
- PSA: 28.68
1H-Benzimidazole,2-heptyl-6-methyl- Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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