2-[(2R)-4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-7-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-benzoimidazole
Basic information
- Standard SMILES
COc1ccc(-c2cc(C(F)(F)F)cc3nc(N4CCN(c5ncccc5Cl)C[C@H]4C)[nH]c23)cc1F- InChIKey
KCXLHQDDPYOSMQ-CQSZACIVSA-N- Molecular formula
- C25H22ClF4N5O
- Average molar mass
- 519.9 g/mol
- Monoisotopic mass
- 519.1449007
Names & identifiers
- Preferred name
- 2-[(2R)-4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-7-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-benzoimidazole
- IUPAC
- 2-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-4-(3-fluoro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
2-[(2R)-4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-7-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-benzoimidazoleSCHEMBL2423826
Database identifiers
- PubChem CID
- 57835169
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 750
Related reactions
2 records
Compound notes
Loading…