Molecule record

5-chloro-1H-imidazole

C3H3ClN2

102.52 g/mol

Loading structure

Molecular properties

Formula
C3H3ClN2
Molar mass
102.52 g·mol−1
Exact mass
101.9985 Da
3
PubChem CID
140019

Functional groups

Aryl halide

Physical properties

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

Common names and synonyms

  • 15965-31-8
  • 1H-Imidazole, 4-chloro-
  • 1H-Imidazole, 5-chloro-
  • 4-Chloro-1(3)H-imidazole
  • 4-Cl-pyrazole
  • 4-chloro-1H-imidazole
  • 4-chloroimidazole
  • 5-chloroimidazole
Show all 24 synonyms
  • 692-515-8
  • CHEMBL5427828
  • Imidazole, 4-chloro- (8CI)
  • MFCD09033087
  • MFCD09033093
  • NSC222413
  • RefChem:521991
  • SCHEMBL1561127
  • SCHEMBL1561468
  • SCHEMBL2041287
  • SCHEMBL2042012
  • SCHEMBL2042980
  • SCHEMBL2043033
  • SCHEMBL361377
  • SCHEMBL526410
  • T0O

Structure identifiers

Canonical SMILES
Clc1cnc[nH]1
Isomeric SMILES
C1=C(NC=N1)Cl
InChI
InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKey
BQRBAXFOPZRMCU-UHFFFAOYSA-N
PubChem CID
140019

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-chloro-1H-imidazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 5-chloro-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