Marvin  03231214072D          

  6  6  0  0  0  0            999 V2000
    6.0715  -28.7593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6650  -27.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3404  -27.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2591  -28.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0041  -27.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735  -29.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
M  END
> <ID>
CHEBI:40035

> <NAME>
4-methylimidazole

> <DEFINITION>
Imidazole substituted at position 4 by a methyl group.

> <STAR>
3

> <SYNONYM>
4MI; 4-METHYLIMIDAZOLE; 4-MEI; 4-Me-i; 4(5)-methylimidazole

> <IUPAC_NAME>
4-methyl-1H-imidazole

> <FORMULA>
C4H6N2

> <MASS>
82.10380

> <MONOISOTOPIC_MASS>
82.05310

> <CHARGE>
0

> <SMILES>
Cc1c[nH]cn1

> <INCHI>
InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)

> <INCHIKEY>
XLSZMDLNRCVEIJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
822-36-6

> <REAXYS_REGISTRY_NUMBER>
1453

> <CHEMIDPLUS>
822-36-6

> <KEGG_COMPOUND_ACCESSION>
C19262

> <NIST_CHEMISTRY_WEBBOOK>
822-36-6

> <PDBECHEM_ACCESSION>
4MZ

> <WIKIPEDIA_ACCESSION>
4-Methylimidazole

> <PUBMED_CITATION>
16180012; 17619857; 2079523; 2254202; 24161

$$$$