Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)-
Basic information
- CAS
3671-67-8- Standard SMILES
CC(C)(C)c1ccc2nc(C(F)(F)F)[nH]c2c1- InChIKey
AOWYBSYMYIAJEV-UHFFFAOYSA-N- Molecular formula
- C12H13F3N2
- Average molar mass
- 242.24 g/mol
- Monoisotopic mass
- 242.10308291
Names & identifiers
- Preferred name
- Benzimidazole, 5-tert-butyl-2-(trifluoromethyl)-
- IUPAC
- 6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
BENZIMIDAZOLE, 5-tert-BUTYL-2-(TRIFLUOROMETHYL)-BRN 09167303671-67-85-tert-Butyl-2-(trifluoromethyl)benzimidazoleDTXSID60190173RefChem:325961DTXCID701126645-(tert-Butyl)-2-(trifluoromethyl)-1H-benzo[d]imidazoleSCHEMBL13483956AOWYBSYMYIAJEV-UHFFFAOYSA-N6-tert-Butyl-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
3671-67-8- PubChem CID
- 19346
- DTXSID
DTXSID60190173
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
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Compound notes
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