GRADE & PURITY ≥98%

Synonyms

A817145 | AS-65339 | 64FTA4579H | NSC101474 | NSC-101474 | 5-(4-Hydroxyphenyl)hydantoin | D84004 | EINECS 219-340-8 | SCHEMBL1014744 | 5-(4-Hydroxyphenyl)-2,4-imidazolidinedione | DTXSID401036167 | MFCD00044002 | 5-(p-Hydroxyphenyl)hydantoin | 5-(p-hydrox

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A817145 | AS-65339 | 64FTA4579H | NSC101474 | NSC-101474 | 5-(4-Hydroxyphenyl)hydantoin | D84004 | EINECS 219-340-8 | SCHEMBL1014744 | 5-(4-Hydroxyphenyl)-2, 4-imidazolidinedione | DTXSID401036167 | MFCD00044002 | 5-(p-Hydroxyphenyl)hydantoin | 5-(p-hydrox

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186819
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186819
• Canonical Smiles: C1=CC(=CC=C1C2C(=O)NC(=O)N2)O
• IUPAC Name: 5-(4-hydroxyphenyl)imidazolidine-2,4-dione
• InChIKey: UMTNMIARZPDSDI-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O3/c12-6-3-1-5(2-4-6)7-8(13)11-9(14)10-7/h1-4,7,12H,(H2,10,11,13,14)
• Isomeric SMILES: C1=CC(=CC=C1C2C(=O)NC(=O)N2)O
• Molecular Weight: 192.17
• Beilstein: 25(3/4)312
• Reaxy-Rn: 174882
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=174882&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins
              • Level8 Phenylhydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones - Hydantoins
• Direct Parent: Phenylhydantoins
• Alternative Parents: Phenylimidazolidines Alpha amino acids and derivatives 5-monosubstituted hydantoins N-acyl ureas 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-phenylhydantoin - Phenylimidazolidine - Alpha-amino acid or derivatives - 5-monosubstituted hydantoin - N-acyl urea - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Ureide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This 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.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 192.170 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.053 Da
• Monoisotopic Mass: 192.053 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 259.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1