Marvin  03051009202D          

  6  6  0  0  0  0            999 V2000
    1.7279   -0.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3187    0.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9837    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6537    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3129    1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  5  2  1  0  0  0  0
M  END
> <ID>
CHEBI:113454

> <NAME>
1-methyl-1H-imidazole

> <DEFINITION>
A 1H-imidazole having a methyl substituent at the N-1 position.

> <STAR>
3

> <SYNONYM>
N-Methylimidazole; 1-Methylimidazole

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

> <FORMULA>
C4H6N2

> <MASS>
82.10380

> <MONOISOTOPIC_MASS>
82.05310

> <CHARGE>
0

> <SMILES>
Cn1ccnc1

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

> <INCHIKEY>
MCTWTZJPVLRJOU-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
105197

> <CAS_REGISTRY_NUMBER>
616-47-7

> <GMELIN_REGISTRY_NUMBER>
2403

> <CHEMIDPLUS>
616-47-7

> <DRUGBANK_ACCESSION>
DB02671

> <NIST_CHEMISTRY_WEBBOOK>
616-47-7

$$$$