Basic information
- Standard SMILES
COC(=O)c1cccc2c1nc(NC(=O)c1cc3ccccc3cn1)n2Cc1ccccc1- InChIKey
SGZLVPCEPUSDMO-UHFFFAOYSA-N- Molecular formula
- C26H20N4O3
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- 1-benzyl-2-[(isoquinoline-3-carbonyl)-amino]-1H-benzoimidazole-4-carboxylic acid methyl ester
- IUPAC
- methyl 1-benzyl-2-(isoquinoline-3-carbonylamino)benzimidazole-4-carboxylate
Names & synonyms
SCHEMBL1201668SGZLVPCEPUSDMO-UHFFFAOYSA-N1-benzyl-2-[(isoquinoline-3-carbonyl)-amino]-1H-benzoimidazole-4-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 58724432
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 697
Related reactions
8 records
Compound notes
Loading…