Basic information
- Standard SMILES
COC(=O)c1cccc2[nH]c(-c3ccc(Cl)cc3C(F)(F)F)nc12- InChIKey
CVIFQJOWGOOVRC-UHFFFAOYSA-N- Molecular formula
- C16H10ClF3N2O2
- Average molar mass
- 354.71 g/mol
- Monoisotopic mass
- 354.0382897
Names & identifiers
- Preferred name
- methyl 2-(4-chloro-2-(trifluoromethyl)phenyl)-1H-benzo[d]imidazole-4-carboxylate
- IUPAC
- methyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
Names & synonyms
methyl 2-(4-chloro-2-(trifluoromethyl)phenyl)-1H-benzo[d]imidazole-4-carboxylateSCHEMBL1888077
Database identifiers
- PubChem CID
- 67201064
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 477
Related reactions
2 records
Compound notes
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