Basic information
- Standard SMILES
N#Cc1ccc2[nH]c(C(F)(F)F)nc2c1Cl- InChIKey
YZYLWOYHUCHSHM-UHFFFAOYSA-N- Molecular formula
- C9H3ClF3N3
- Average molar mass
- 245.59 g/mol
Names & identifiers
- Preferred name
- 4-chloro-2-(trifluoromethyl)-1H-benzimidazole-5-carbonitrile
- IUPAC
- 4-chloro-2-(trifluoromethyl)-1H-benzimidazole-5-carbonitrile
Names & synonyms
4-chloro-2-(trifluoromethyl)-1H-benzimidazole-5-carbonitrileSCHEMBL2429554
Database identifiers
- PubChem CID
- 67404532
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Related reactions
12 records
Compound notes
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