Basic information
- Standard SMILES
CC(C)(C)OC(=O)Cn1c(C(F)(F)F)nc2c(Cl)c(C#N)ccc21- InChIKey
BPEGYLBEFQNTLR-UHFFFAOYSA-N- Molecular formula
- C15H13ClF3N3O2
- Average molar mass
- 359.73 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl [4-chloro-5-cyano-2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetate
- IUPAC
- tert-butyl 2-[4-chloro-5-cyano-2-(trifluoromethyl)benzimidazol-1-yl]acetate
Names & synonyms
1,1-Dimethylethyl [4-chloro-5-cyano-2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetateSCHEMBL4413125
Database identifiers
- PubChem CID
- 69033757
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 540
Related reactions
4 records
Compound notes
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