Benzimidazole, 5,6-dimethoxy-2-(trifluoromethyl)-

HCID 55952

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Basic information

CAS: 89427-13-4
Standard SMILES: COc1cc2nc(C(F)(F)F)[nH]c2cc1OC
InChIKey: KKUSEXKTNFXEAQ-UHFFFAOYSA-N
Molecular formula: C10H9F3N2O2
Average molar mass: 246.19 g/mol
Monoisotopic mass: 246.06161202

Names & identifiers

Preferred name: Benzimidazole, 5,6-dimethoxy-2-(trifluoromethyl)-
IUPAC: 5,6-dimethoxy-2-(trifluoromethyl)-1H-benzimidazole

Names & synonyms

BRN 0887936BENZIMIDAZOLE, 5,6-DIMETHOXY-2-(TRIFLUOROMETHYL)-5,6-Dimethoxy-2-(trifluoromethyl)benzimidazole89427-13-4DTXSID802376755-23-13-00227 (Beilstein Handbook Reference)RefChem:325927DTXCID301601665,6-Dimethoxy-2-(trifluoromethyl)-1H-benzo[d]imidazoleKKUSEXKTNFXEAQ-UHFFFAOYSA-NAKOS0061633925,6-Dimethoxy-2-(trifluoromethyl)-1H-1,3-benzimidazole

Database identifiers

CAS: 89427-13-4
PubChem CID: 55952
DTXSID: DTXSID80237675

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 47.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 275

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