Basic information
- Standard SMILES
COC(=O)c1cccc2c1nc(N)n2Cc1ccccc1- InChIKey
CIPXQNRKZSYYSB-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Names & identifiers
- Preferred name
- 2-amino-1-benzyl-1H-benzoimidazole-4-carboxylic acid methyl ester
- IUPAC
- methyl 2-amino-1-benzylbenzimidazole-4-carboxylate
Names & synonyms
SCHEMBL1201709CIPXQNRKZSYYSB-UHFFFAOYSA-N2-amino-1-benzyl-1H-benzoimidazole-4-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 66940320
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Related reactions
8 records
Compound notes
Loading…