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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:43 UTC
Update Date2025-03-25 00:53:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202853
Frequency0.5
Structure
Chemical FormulaC19H15F2N3O
Molecular Mass339.1183
SMILESO=C1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)N1
InChI KeyBKJSGDSCTWNXAO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent phenylimidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2,4,5-trisubstituted imidazoles
  • aryl fluorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • fluorobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • lactams
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • aryl fluoride
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • organohalogen compound
  • 4-phenylimidazole
  • fluorobenzene
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • organofluoride
  • heteroaromatic compound
  • 2,4,5-trisubstituted-imidazole
  • carboxamide group
  • aryl halide
  • secondary carboxylic acid amide
  • 5-phenylimidazole
  • organic oxygen compound
  • trisubstituted imidazole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound