6-Bromo-2-phenyl-1H-benzimidazole

C13H9BrN2CAS 1741-50-0273.13 g/mol

Open in Covalent MOL file
NNHBr
Aryl halide

Properties

Molecular formula
C13H9BrN2
Molar mass
273.13 g/mol
Exact mass
271.9949 Da
logP
3.99Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
1741-50-0
SMILES
C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Br
InChIKey
GVFCYTFUNNARML-UHFFFAOYSA-N
InChI
InChI=1S/C13H9BrN2/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)

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Names and synonyms

1 names
  • 5-Bromo-2-phenylbenzimidazole

Work with 6-Bromo-2-phenyl-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

2-Phenylbenzimidazole716-79-058 % similar 5-Bromo-1H-benzimidazole-2-amine791595-74-957 % similar 2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole540516-28-754 % similar Ensulizole27503-81-751 % similar 7-Bromo-1H-quinoxalin-2-one82031-32-146 % similar 2-(4-Pyridyl)benzimidazole2208-59-544 % similar 2-Bromocarbazole3652-90-244 % similar 6-Bromo-1H-benzimidazole4887-88-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Bromophenyl)-1H-benzimidazole2622-74-4 2-(4-Bromophenyl)imidazo[1,2-A]pyridine34658-66-7

Elsewhere

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