chempirical

2-Bromo-1H-benzimidazole

C7H5BrN2CAS 54624-57-6197.03 g/mol

Open in Covalent MOL file
NHNBr
Aryl halide

Properties

Molecular formula
C7H5BrN2
Molar mass
197.03 g/mol
Exact mass
195.9636 Da
logP
2.33Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

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
54624-57-6
SMILES
C1=CC=C2C(=C1)NC(=N2)Br
InChIKey
PHPYXVIHDRDPDI-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)

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Names and synonyms

1 names
  • 2-Bromobenzimidazole

Work with 2-Bromo-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-(4-Bromophenyl)-1H-benzimidazole2622-74-455 % similar 2-Phenylbenzimidazole716-79-054 % similar 2,6-Bis(2-benzimidazolyl)pyridine28020-73-752 % similar 2-Chlorobenzimidazole4857-06-152 % similar Mercaptobenzimidazole583-39-152 % similar 2-Methylbenzimidazole615-15-652 % similar 2-Benzimidazolinone615-16-752 % similar 2-(Trifluoromethyl)-1H-benzimidazole312-73-252 % similar

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

Same formula

5-Bromo-4-azaindole1000341-51-4 2-Bromo-5-cyano-4-picoline1003711-35-0 5-Bromopyrazolo[1,5-A]pyridine1060812-84-1 2-Amino-3-bromobenzonitrile114344-60-4 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-8 6-Bromopyrazolo(1,5-a)pyridine1264193-11-4 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-7 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-5

Elsewhere

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