Basic information
- Standard SMILES
COC(=O)c1cc(-c2ccc(C)cn2)c2ncn(CC(C)C)c2c1- InChIKey
FRIXKLRIXHRSLR-UHFFFAOYSA-N- Molecular formula
- C19H21N3O2
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.16337692
Names & identifiers
- Preferred name
- 3-Isobutyl-7-(5-methyl-pyridin-2-yl)-3H-benzoimidazole-5-carboxylic acid methyl ester
- IUPAC
- methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate
Names & synonyms
SCHEMBL2720871FRIXKLRIXHRSLR-UHFFFAOYSA-N3-Isobutyl-7-(5-methyl-pyridin-2-yl)-3H-benzoimidazole-5-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 59627764
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Related reactions
6 records
Compound notes
Loading…