Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)-

Substructure search Find similar structures

Basic information

CAS: 89427-25-8
Standard SMILES: N#Cc1cc2[nH]c(C(F)(F)F)nc2c(Cl)c1Cl
InChIKey: HKGDOOBSWGGNPM-UHFFFAOYSA-N
Molecular formula: C9H2Cl2F3N3
Average molar mass: 280.03 g/mol
Monoisotopic mass: 278.957787

Names & identifiers

Preferred name: Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)-
IUPAC: 6,7-dichloro-2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile

Names & synonyms

Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)-4,5-Dichloro-2-(trifluoromethyl)benzimidazole-6-carbonitrile89427-25-8DTXSID302376851H-Benzimidazol-5-carbonitrile, 6,7-dichloro-2-(trifluoromethyl)-RefChem:325997DTXCID801601764,5-Dichloro-2-(trifluoromethyl)-1H-1,3-benzimidazole-6-carbonitrile

Database identifiers

CAS: 89427-25-8
PubChem CID: 198639
DTXSID: DTXSID30237685

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 52.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 353

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…