Molecular properties
- Formula
- C7H12N2
- Molar mass
- 124.19 g·mol−1
- Exact mass
- 124.1000 Da
- 3
- PubChem CID
- 498436
Molecule record
5-tert-butyl-1H-imidazole
C7H12N2
124.19 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1H-Imidazole, 4-(1,1-dimethylethyl)-
- 1H-Imidazole, 5-(1,1-dimethylethyl)-
- 21149-98-4
- 4-(1,1-diMethylethyl)-iMidazole
- 4-tert-Butyl-1H-imidazole, AldrichCPR
- 4-tert-butyl-1H-imidazole
- 4-tert-butylimidazole
- 831-886-4
Show all 24 synonyms
- AKOS005175068
- AKOS037643789
- ALBB-015067
- AS-35899
- CS-0171691
- DB-341015
- EN300-194418
- MFCD18064644
- RefChem:537850
- SCHEMBL1202573
- SCHEMBL2252845
- SCHEMBL2588087
- SCHEMBL27617871
- SCHEMBL680605
- SY083790
- ULKZTFQDSPKNMV-UHFFFAOYSA-N
Structure identifiers
- Canonical SMILES
- CC(C)(C)c1cnc[nH]1
- Isomeric SMILES
- CC(C)(C)C1=CN=CN1
- InChI
- InChI=1S/C7H12N2/c1-7(2,3)6-4-8-5-9-6/h4-5H,1-3H3,(H,8,9)
- InChIKey
- ULKZTFQDSPKNMV-UHFFFAOYSA-N
- PubChem CID
- 498436
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 5-tert-butyl-1H-imidazole; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 5-tert-butyl-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.