chempirical

4-Bromo-1H-benzimidazole

C7H5BrN2CAS 83741-35-9197.03 g/mol

Open in Covalent MOL file
BrNNH
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
83741-35-9
SMILES
C1=CC2=C(C(=C1)Br)N=CN2
InChIKey
MUQFMGBYYAOIJK-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)

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Names and synonyms

1 names
  • 1H-Benzimidazole,4-bromo-(9ci)

Work with 4-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

4-Bromo-6-(trifluoromethyl)-1H-benzimidazole175135-14-547 % similar 1H-Benzoimidazole-4-carboxylic acid46006-36-447 % similar Benzimidazole51-17-245 % similar 8-Bromoquinoline16567-18-342 % similar 4-Bromoindole52488-36-542 % similar 4-Bromo (1H)indazole186407-74-939 % similar 7-Bromo-1H-indazole53857-58-239 % similar 4-Bromobenzo[d]thiazole767-68-039 % 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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