Molecular properties
- Formula
- C3H4N2
- Molar mass
- 68.08 g·mol−1
- Exact mass
- 68.0374 Da
- 3
- 1
- 1
- 28.70 Ų
- -0.1 (PubChem computed XLogP3-AA descriptor)
- CAS
- 288-32-4
- PubChem CID
- 795
Molecule record
imidazole
C3H4N2
68.08 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Amine
Aromatic ring
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -0.1 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1,3-Diaza-2,4-cyclopentadiene
- 1,3-Diazole
- 1H-Imidazole
- 288-32-4
- 7GBN705NH1
- CHEBI:16069
- DTXCID809616
- DTXSID2029616
Show all 22 synonyms
- Formamidine, N,N'-vinylene-
- Glioksal
- Glyoxalin
- Glyoxaline
- Imidazol
- Iminazole
- Imutex
- Methanimidamide, N,N'-1,2-ethenediyl-
- Miazole
- N,N'-1,2-ethenediylmethanimidamide
- N,N'-vinyleneformamidine
- NSC-60522
- Pyrro(b)monazole
- RefChem:5902
Structure identifiers
- Canonical SMILES
- C1=CN=CN1
- Isomeric SMILES
- C1=CN=CN1
- InChI
- InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
- InChIKey
- RAXXELZNTBOGNW-UHFFFAOYSA-N
- PubChem CID
- 795
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for imidazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for imidazole; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.