Basic information
- Standard SMILES
O=C(Nc1ccc(CN2CCN(C(=O)OCc3ccccc3)CC2)cn1)c1cccc2[nH]c(-c3ccccc3C(F)(F)F)nc12- InChIKey
LWBIGHYAWLYQIQ-UHFFFAOYSA-N- Molecular formula
- C33H29F3N6O3
- Average molar mass
- 614.6 g/mol
Names & identifiers
- Preferred name
- benzyl 4-((6-(2-(2-(trifluoromethyl)phenyl)-1H-benzo[d]imidazole-4-carboxamido)pyridin-3-yl)methyl)piperazine-1-carboxylate
- IUPAC
- benzyl 4-[[6-[[2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate
Names & synonyms
benzyl 4-((6-(2-(2-(trifluoromethyl)phenyl)-1H-benzo[d]imidazole-4-carboxamido)pyridin-3-yl)methyl)piperazine-1-carboxylateSCHEMBL1889889
Database identifiers
- PubChem CID
- 67201699
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 989
Related reactions
1 records
Compound notes
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