2-(4-Bromophenyl)-1H-benzimidazole

C₁₃H₉BrN₂CAS 2622-74-4273.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₉BrN₂
Molar mass: 273.13 g/mol
Exact mass: 271.9949 Da
logP: 3.99Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

2622-74-4

SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)Br

InChIKey

YRWMGOSKROWAIT-UHFFFAOYSA-N

InChI

InChI=1S/C13H9BrN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-(4-Bromophenyl)benzimidazole

Work with 2-(4-Bromophenyl)-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-Phenylbenzimidazole716-79-068 % similar 2-(4-Pyridyl)benzimidazole2208-59-561 % similar 2,6-Bis(2-benzimidazolyl)pyridine28020-73-750 % similar Mercaptobenzimidazole583-39-150 % similar 2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine23449-08-347 % similar 2-(4-Bromophenyl)benzothiazole19654-19-446 % similar 2-(4-Bromophenyl)benzoxazole3164-13-446 % similar 2-(2′-Pyridyl)benzimidazole1137-68-446 % similar

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

Same formula

6-Bromo-2-phenyl-1H-benzimidazole1741-50-0 2-(4-Bromophenyl)imidazo[1,2-A]pyridine34658-66-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook