6-Bromo-1H-benzimidazole

C7H5BrN2CAS 4887-88-1197.03 g/mol

Open in Covalent MOL file
BrHNN
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

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
4887-88-1
SMILES
C1=CC2=C(C=C1Br)NC=N2
InChIKey
GEDVWGDBMPJNEV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)

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Names and synonyms

1 names
  • 5-Bromo-1H-benzimidazole

Work with 6-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

6-Bromo-4-quinazolinamine21419-48-756 % similar 6-Bromoquinazolin-4-ol32084-59-656 % similar 5-Chlorobenzimidazole4887-82-555 % similar 5-Methylbenzimidazole614-97-155 % similar 5-Aminobenzimidazole934-22-555 % similar 6-Bromo-1H-pyrrolo[3,2-b]pyridine944937-53-553 % similar 7-Bromo-1H-quinazolin-4-one194851-16-651 % similar 7-Bromo-1H-quinoxalin-2-one82031-32-151 % 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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