2-(Trifluoromethyl)-1H-benzimidazole-6-carboxamide
Basic information
- CAS
89426-89-1- Standard SMILES
NC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1- InChIKey
MKJCYFAERKFQLL-UHFFFAOYSA-N- Molecular formula
- C9H6F3N3O
- Average molar mass
- 229.16 g/mol
- Monoisotopic mass
- 229.04629631
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)-1H-benzimidazole-6-carboxamide
- IUPAC
- 2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
Names & synonyms
BENZIMIDAZOLE-5-CARBOXAMIDE, 2-(TRIFLUOROMETHYL)-89426-89-1DTXSID40237651RefChem:1062076DTXCID901601422-(trifluoromethyl)-1H-benzimidazole-6-carboxamide2-(Trifluoromethyl)benzimidazole-5-carboxamideSCHEMBL28462815SCHEMBL29488675MKJCYFAERKFQLL-UHFFFAOYSA-N2-(Trifluoromethyl)-1H-1,3-benzimidazole-6-carboxamide
Database identifiers
- CAS
89426-89-1- PubChem CID
- 55936
- DTXSID
DTXSID40237651
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 294
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Compound notes
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