2-Cyclopropyl-1-{4-[6-fluoro-2-phenoxymethyl-3-(4-trifluoromethoxy-benzyl)-3H-benzoimidazol-5-yl]-piperazin-1-yl}-ethanone
Basic information
- Standard SMILES
O=C(CC1CC1)N1CCN(c2cc3c(cc2F)nc(COc2ccccc2)n3Cc2ccc(OC(F)(F)F)cc2)CC1- InChIKey
YUJCKFRHRYOZMX-UHFFFAOYSA-N- Molecular formula
- C31H30F4N4O3
- Average molar mass
- 582.6 g/mol
Names & identifiers
- Preferred name
- 2-Cyclopropyl-1-{4-[6-fluoro-2-phenoxymethyl-3-(4-trifluoromethoxy-benzyl)-3H-benzoimidazol-5-yl]-piperazin-1-yl}-ethanone
- IUPAC
- 2-cyclopropyl-1-[4-[6-fluoro-2-(phenoxymethyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-yl]piperazin-1-yl]ethanone
Names & synonyms
2-Cyclopropyl-1-{4-[6-fluoro-2-phenoxymethyl-3-(4-trifluoromethoxy-benzyl)-3H-benzoimidazol-5-yl]-piperazin-1-yl}-ethanoneSCHEMBL2976457
Database identifiers
- PubChem CID
- 68463597
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 886
Related reactions
3 records
Compound notes
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