4,5,6,7-Tetrabromo-2-(trifluoromethyl)-1H-benzimidazole

HCID 75358

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Basic information

CAS: 2338-30-9
Standard SMILES: FC(F)(F)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
InChIKey: AGSFSCDYZMGUGS-UHFFFAOYSA-N
Molecular formula: C8HBr4F3N2
Average molar mass: 501.72 g/mol
Monoisotopic mass: 497.68253

Names & identifiers

Preferred name: 4,5,6,7-Tetrabromo-2-(trifluoromethyl)-1H-benzimidazole
IUPAC: 4,5,6,7-tetrabromo-2-(trifluoromethyl)-1H-benzimidazole

Names & synonyms

Benzimidazole, 4,5,6,7-tetrabromo-2-(trifluoromethyl)-2338-30-94,5,6,7-tetrabromo-2-(trifluoromethyl)-1H-benzimidazoleDTXSID90177937RefChem:1069356DTXCID50100428CHEMBL227370BRN 05527034,5,6,7-Tetrabromo-2-(trifluoromethyl)benzimidazole5-23-06-00363 (Beilstein Handbook Reference)AGSFSCDYZMGUGS-UHFFFAOYSA-NBDBM50156369

Show more names

4,5,6,7-tetrabromo-2-trifluoro-methylbenzimidazole1H-Benzimidazole, 4,5,6,7-tetrabromo-2-(trifluoromethyl)-4,5,6,7-Tetrabromo-2-(trifluoromethyl)-1H-1,3-benzimidazole

Database identifiers

CAS: 2338-30-9
PubChem CID: 75358
DTXSID: DTXSID90177937
ChEMBL: CHEMBL227370
Nikkaji: J582.071E

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 303

Experimental & physicochemical properties

LogP4.81

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