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Molecule record

1H-imidazole-5-carbaldehyde

C4H4N2O

96.09 g/mol

Loading structure

Molecular properties

Formula
C4H4N2O
Molar mass
96.09 g·mol−1
Exact mass
96.0324 Da
4
PubChem CID
76428

Functional groups

Aldehyde

Physical properties

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

Common names and synonyms

  • 1H-IMIDAZOLE-5-CARBOXALDEHYDE
  • 1H-Imidazole-4-carbaldehyde
  • 1H-Imidazole-4-carboxaldehyde
  • 221-227-3
  • 3034-50-2
  • 3H-imidazole-4-carbaldehyde
  • 4(5)-Imidazolecarboxaldehyde
  • 4-Formylimidazole
Show all 24 synonyms
  • 4-Imidazolecarboxaldehyde
  • 4-formyl imidazole
  • 4-imidazole-carboxaldehyde
  • 5-Imidazolecarboxaldehyde
  • DTXCID80106918
  • DTXSID70184427
  • DWG32KT6XA
  • EINECS 221-227-3
  • Imidazole-4-carbaldehyde
  • Imidazole-4-carboxaldehyde
  • MFCD00173726
  • NSC-400521
  • NSC400521
  • RefChem:438411
  • UNII-DWG32KT6XA
  • imidazole-5-carbaldehyde

Structure identifiers

Canonical SMILES
O=Cc1cnc[nH]1
Isomeric SMILES
C1=C(NC=N1)C=O
InChI
InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)
InChIKey
ZQEXIXXJFSQPNA-UHFFFAOYSA-N
PubChem CID
76428

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 1H-imidazole-5-carbaldehyde; not experimental data.

Simulated EI mass spectrum

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

Sources

Molecule identity

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

PubChem(link only)
Open source record