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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:20 UTC
Update Date2025-03-25 00:45:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149566
Frequency0.5
Structure
Chemical FormulaC16H16N2
Molecular Mass236.1313
SMILESCC(C)c1ccc2[nH]c(-c3ccccc3)nc2c1
InChI KeyOOOGQTJYAOIHFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass phenylbenzimidazoles
Direct Parent phenylbenzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organonitrogen compounds
  • organopnictogen compounds
  • phenylimidazoles
    • Substituents
  • monocyclic benzene moiety
  • azacycle
  • heteroaromatic compound
  • aromatic heteropolycyclic compound
  • imidazole
  • 2-phenylimidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • azole
  • phenylbenzimidazole