Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120196
Identification
Name: phenylhydantoin
Description:Not Available
Structure
Thumb
Synonyms:
  • 5-phenylhydantoin
Chemical Formula: C9H8N2O2
Average Molecular Weight: 176.174
Monoisotopic Molecular Weight: 176.05858
InChI Key: NXQJDVBMMRCKQG-UHFFFAOYSA-N
InChI:InChI=1S/C9H8N2O2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C1(C=CC(=CC=1)C2(NC(=O)NC2=O))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Azolidines
Sub ClassImidazolidines
Direct Parent Phenylhydantoins
Alternative Parents
Substituents
  • 5-phenylhydantoin
  • Phenylimidazolidine
  • Alpha-amino acid or derivatives
  • 5-monosubstituted hydantoin
  • N-acyl urea
  • Ureide
  • Monocyclic benzene moiety
  • Benzenoid
  • Dicarboximide
  • Urea
  • Carbonic acid derivative
  • Carboxylic acid derivative
  • Azacycle
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors
  • a small molecule (PHENYLHYDANTOIN)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight176.175 g/molPubChem
XLogP30.5 PubChem
Hydrogen Bond Donor Count2 PubChem
Hydrogen Bond Acceptor Count2 PubChem
Rotatable Bond Count1 PubChem
Exact Mass176.059 g/molPubChem
Monoisotopic Mass176.059 g/molPubChem
Topological Polar Surface Area58.2 A^2PubChem
Heavy Atom Count13 PubChem
Formal Charge0 PubChem
Complexity234 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count1 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEMSPIDER977
    CHEBI359980
    PUBCHEM1002
    NCI40885