Basic information
- Standard SMILES
O=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1cncc(CCc2ccccc2)c1- InChIKey
DUPZKQRZSYXZEZ-UHFFFAOYSA-N- Molecular formula
- C25H21N7O2
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.17567294
Names & identifiers
- Preferred name
- 2-[(5-phenethyl-pyridine-3-carbonyl)-amino]-1H-benzoimidazole-4-carboxylic acid (1H-imidazol-2-yl)-amide
- IUPAC
- N-(1H-imidazol-2-yl)-2-[[5-(2-phenylethyl)pyridine-3-carbonyl]amino]-1H-benzimidazole-4-carboxamide
Names & synonyms
SCHEMBL1201713DUPZKQRZSYXZEZ-UHFFFAOYSA-N2-[(5-phenethyl-pyridine-3-carbonyl)-amino]-1H-benzoimidazole-4-carboxylic acid (1H-imidazol-2-yl)-amide
Database identifiers
- PubChem CID
- 58724434
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 701
Related reactions
4 records
Compound notes
Loading…