Basic information
- Standard SMILES
O=C(NCc1ccc(F)cc1)c1cccc2nc(-c3c(NCCc4cccc(Cl)c4)cc[nH]c3=O)[nH]c12- InChIKey
YZNFGRHAHBWLPH-UHFFFAOYSA-N- Molecular formula
- C28H23ClFN5O2
- Average molar mass
- 516 g/mol
- Monoisotopic mass
- 515.1524308
Names & identifiers
- Preferred name
- 2-{4-[2-(3-chloro-phenyl)-ethylamino]-2-oxo-1,2-dihydro-pyridin-3-yl}-3H-benzoimidazole-4-carboxylic acid 4-fluoro-benzylamide
- IUPAC
- 2-[4-[2-(3-chlorophenyl)ethylamino]-2-oxo-1H-pyridin-3-yl]-N-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxamide
Names & synonyms
SCHEMBL16052745SCHEMBL16070189YZNFGRHAHBWLPH-UHFFFAOYSA-N2-{4-[2-(3-chloro-phenyl)-ethylamino]-2-oxo-1,2-dihydro-pyridin-3-yl}-3H-benzoimidazole-4-carboxylic acid 4-fluoro-benzylamide
Database identifiers
- PubChem CID
- 136295150
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 890
Related reactions
2 records
Compound notes
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