chempirical

4-Bromo-6-(trifluoromethyl)-1H-benzimidazole

C8H4BrF3N2CAS 175135-14-5265.03 g/mol

Open in Covalent MOL file
HNNBrFFF
Alkyl halideAryl halide

Properties

Molecular formula
C8H4BrF3N2
Molar mass
265.03 g/mol
Exact mass
263.9510 Da
logP
3.34Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
175135-14-5
SMILES
C1=C(C=C(C2=C1NC=N2)Br)C(F)(F)F
InChIKey
HYTQERQCUFICAX-UHFFFAOYSA-N
InChI
InChI=1S/C8H4BrF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)

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Names and synonyms

1 names
  • 4-Bromo-6-(trifluoromethyl)benzimidazole

Work with 4-Bromo-6-(trifluoromethyl)-1H-benzimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-6-(trifluoromethyl)-1H-benzimidazole175135-13-462 % similar 4-Bromo-6-(trifluoromethyl)-1H-indole1000342-93-751 % similar 3-Bromo-2-fluoro-5-(trifluoromethyl)pyridine1031929-01-744 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-240 % similar 4-Bromo-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione175135-17-840 % similar 3-Bromo-2-methoxy-5-(trifluoromethyl)pyridine124432-63-940 % similar 2-Bromo-6-chloro-4-(trifluoromethyl)aniline109919-26-838 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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