7-Bromo-5-(trifluoromethyl)-1H-benzimidazole-2-propanol

C₁₁H₁₀BrF₃N₂OCAS 175135-16-7323.11 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Aryl halide

Properties

Molecular formula: C₁₁H₁₀BrF₃N₂O
Molar mass: 323.11 g/mol
Exact mass: 321.9929 Da
logP: 3.27Crippen estimate
Polar surface area: 48.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

175135-16-7

SMILES

OCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1

InChIKey

MBIDMDLISUPTFB-UHFFFAOYSA-N

InChI

InChI=1S/C11H10BrF3N2O/c12-7-4-6(11(13,14)15)5-8-10(7)17-9(16-8)2-1-3-18/h4-5,18H,1-3H2,(H,16,17)

Weigh it out

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Names and synonyms

2 names

1H-Benzimidazole-2-propanol, 7-bromo-5-(trifluoromethyl)-
1H-Benzimidazole-2-propanol, 4-bromo-6-(trifluoromethyl)-

Work with 7-Bromo-5-(trifluoromethyl)-1H-benzimidazole-2-propanol

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-Bromo-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione175135-17-857 % similar 3-[6-(Trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol175135-15-656 % similar 1H-Benzimidazole-2-propanol2403-66-940 % similar 3-(Trifluoromethyl)benzenepropanol78573-45-239 % similar 4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione175135-18-936 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-235 % similar 4-Bromo-6-(trifluoromethyl)-1H-benzimidazole175135-14-535 % similar 4-Bromo-6-(trifluoromethyl)-1H-indole1000342-93-733 % similar

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

Elsewhere

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