Molecule record

5-bromo-1H-imidazole

C3H3BrN2

146.97 g/mol

Loading structure

Molecular properties

Formula
C3H3BrN2
Molar mass
146.97 g·mol−1
Exact mass
145.9480 Da
3
PubChem CID
96125

Functional groups

Aryl halide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1H-Imidazole, 4-bromo-
  • 1H-Imidazole, 5-bromo-
  • 2302-25-2
  • 3kqm
  • 4(or 5)-Bromoimidazole
  • 4-Bromo-1H-imidazol
  • 4-Bromo-1H-imidazole
  • 4-Bromoimidazole
Show all 24 synonyms
  • 4-bromo imidazole
  • 5-bromoimidazole
  • 627-452-7
  • B9S8CMG5AD
  • CHEMBL1232569
  • DTXCID10100065
  • DTXSID50177574
  • Imidazole, 4(or 5)-bromo-
  • Imidazole, 4(or 5)-bromo-(6CI,7CI)
  • Imidazole, 4-bromo-
  • Imidazole, 4-bromo-(8CI)
  • MFCD00047021
  • NSC 227280
  • NSC 54254
  • NSC54254
  • RefChem:438298

Structure identifiers

Canonical SMILES
Brc1cnc[nH]1
Isomeric SMILES
C1=C(NC=N1)Br
InChI
InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKey
FHZALEJIENDROK-UHFFFAOYSA-N
PubChem CID
96125

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 5-bromo-1H-imidazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 5-bromo-1H-imidazole; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record