Marvin  02050909312D          

  5  5  0  0  0  0            999 V2000
    0.0000    0.7017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6673    0.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.5678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6673    0.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  4  3  1  0  0  0  0
  2  3  2  0  0  0  0
  2  1  1  0  0  0  0
M  END
> <ID>
CHEBI:16069

> <NAME>
1H-imidazole

> <DEFINITION>
An imidazole tautomer which has the migrating hydrogen at position 1.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5872; CHEBI:24772

> <SYNONYM>
pyrro[b]monazole; N,N'-vinyleneformamidine; N,N'-1,2-ethenediylmethanimidamide; miazole; iminazole; imidazole; Imidazole; Imidazol; IMD; Him; Glyoxaline; 1H-imidazole; 1,3-Diazole; 1,3-diazole; 1,3-diaza-2,4-cyclopentadiene

> <IUPAC_NAME>
1H-imidazole

> <FORMULA>
C3H4N2

> <MASS>
68.07734

> <MONOISOTOPIC_MASS>
68.03745

> <CHARGE>
0

> <SMILES>
c1c[nH]cn1

> <INCHI>
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)

> <INCHIKEY>
RAXXELZNTBOGNW-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
103853

> <CAS_REGISTRY_NUMBER>
288-32-4

> <GMELIN_REGISTRY_NUMBER>
1417

> <REAXYS_REGISTRY_NUMBER>
103853

> <CHEMIDPLUS>
288-32-4

> <KEGG_COMPOUND_ACCESSION>
C01589

> <NIST_CHEMISTRY_WEBBOOK>
288-32-4

> <PDBECHEM_ACCESSION>
IMD

> <PUBMED_CITATION>
9730817

$$$$