Imidazole - Supplemental Proton Data
Imidazole synonyms
Glyoxaline; IMIDAZOLE; 1H-Imidazole; Methanimidamide, N,N'-1,2-ethenediyl-; Imutex; 1,3-Diazole; Iminazole; Imidazole; Formamidine, N,N'-vinylene-; Pyrro(b)monazole; IMD
Graphical representations:
View large 3D structure
Molecular Formula: C3H4N2
Natural Isotopic Abundance Mass: 68.0772600000
Mono-Isotopic Molecular Masses:
- C12N14: 68.0374481388
- C13N14: 71.0475126522
- C12N15: 70.0315179252
- C13N15: 73.0415824386
InChI string: InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
IUPAC: 1H-imidazole
PubChem Compound (CID): 795KEGG Compound ID: C01589
CAS Registry number: 116421-26-2 146117-15-9 1467-16-9 288-32-4 5587-42-8
ChEBI: 16069
EINECS: 206-019-2
CCRIS: 3345
Beilstein Handbook Reference: 5-23-04-00191
NSC: 60522
PDB Compound ID: IMD
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)