Basic information
- Standard SMILES
Nc1ccc(-c2nc3cc(C(=O)O)ccc3n2C2CCCCC2)cc1N- InChIKey
PVENCYMQWGCKCJ-UHFFFAOYSA-N- Molecular formula
- C20H22N4O2
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- 1-Cyclohexyl-2-(3,4-diaminophenyl)-1H-benzimidazole-5-carboxylic Acid
- IUPAC
- 1-cyclohexyl-2-(3,4-diaminophenyl)benzimidazole-5-carboxylic acid
Names & synonyms
SCHEMBL4125471PVENCYMQWGCKCJ-UHFFFAOYSA-N1-Cyclohexyl-2-(3,4-diaminophenyl)-1H-benzimidazole-5-carboxylic Acid
Database identifiers
- PubChem CID
- 68922299
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Related reactions
2 records
Compound notes
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