Basic information
- CAS
89427-06-5- Standard SMILES
CC(C)(C)c1cc(Br)c2nc(C(F)(F)F)[nH]c2c1- InChIKey
QEOJVLBOBFWCEI-UHFFFAOYSA-N- Molecular formula
- C12H12BrF3N2
- Average molar mass
- 321.14 g/mol
- Monoisotopic mass
- 320.0136
Names & identifiers
- Preferred name
- Benzimidazole, 4-bromo-6-tert-butyl-2-(trifluoromethyl)-
- IUPAC
- 4-bromo-6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
BENZIMIDAZOLE, 4-BROMO-6-tert-BUTYL-2-(TRIFLUOROMETHYL)-4-Bromo-6-tert-butyl-2-(trifluoromethyl)benzimidazole89427-06-5DTXSID102376681H-Benzimidazole, 4-bromo-6-(1,1-dimethylethyl)-2-(trifluoromethyl)-RefChem:325908DTXCID601601594-Bromo-6-tert-butyl-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
89427-06-5- PubChem CID
- 55947
- DTXSID
DTXSID10237668
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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