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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:27 UTC
Update Date2025-03-21 18:07:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068023
Frequency44.6
Structure
Chemical FormulaC7H8N2
Molecular Mass120.0687
SMILESc1ccc2c(c1)NCN2
InChI KeyMXMZCLLIUQEKSN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass benzimidazoles
Direct Parent benzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alkylarylamines
    • Substituents
  • azacycle
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aromatic heteropolycyclic compound
  • benzimidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine