2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole

C₈H₇BrN₂OCAS 540516-28-7227.06 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₈H₇BrN₂O
Molar mass: 227.06 g/mol
Exact mass: 225.9742 Da
logP: 1.82Crippen estimate
Polar surface area: 48.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

540516-28-7

SMILES

C1=CC2=C(C=C1Br)NC(=N2)CO

InChIKey

RXQCVQKHRKONLO-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-3,12H,4H2,(H,10,11)

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Names and synonyms

1 names

(6-Bromo-1H-benzimidazol-2-yl)methanol

Work with 2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole

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

1H-Benzimidazole-2-methanol4856-97-756 % similar 5-Bromo-1H-benzimidazole-2-amine791595-74-956 % similar 6-Bromo-2-phenyl-1H-benzimidazole1741-50-054 % similar 7-Bromo-1H-quinoxalin-2-one82031-32-145 % similar 6-Bromo-1H-benzimidazole4887-88-143 % similar 2,7-Dibromo-9H-carbazole136630-39-241 % similar 2,4-Dibromobenzenemethanol666747-06-441 % similar 4-Bromo-2-pyridinemethanol131747-45-039 % similar

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

Same formula

6-Bromo-5-methoxy-1H-indazole1206800-17-0

Elsewhere

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