Basic information
- Standard SMILES
C[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(-c3cccnc3)c2[nH]1- InChIKey
MBVBDGXLKAQHBJ-CQSZACIVSA-N- Molecular formula
- C24H22ClF3N6O
- Average molar mass
- 502.9 g/mol
- Monoisotopic mass
- 502.1495715
Names & identifiers
- Preferred name
- {5-Chloro-6-[(3R)-3-methyl-4-(7-pyridin-3-yl-5-trifluoromethyl-1H-benzoimidazol-2-yl)-piperazin-1-yl]-pyridin-3-yl}-methanol
- IUPAC
- [5-chloro-6-[(3R)-3-methyl-4-[4-pyridin-3-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol
Names & synonyms
{5-Chloro-6-[(3R)-3-methyl-4-(7-pyridin-3-yl-5-trifluoromethyl-1H-benzoimidazol-2-yl)-piperazin-1-yl]-pyridin-3-yl}-methanolSCHEMBL2424039SCHEMBL6244278
Database identifiers
- PubChem CID
- 57835197
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 719
Related reactions
2 records
Compound notes
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