5,5-Bis(4-methoxyphenyl)imidazolidine-2,4-dione - ≥97% , CAS No.2402-44-0

CAS: 2402-44-0 Cat. No.: B1055550 Molecular Weight: 312.320 EC Number: 881-761-3

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)OC
• IUPAC Name: 5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
• InChIKey: HUULDKVZAIILJR-UHFFFAOYSA-N
• INCHI: 1S/C17H16N2O4/c1-22-13-7-3-11(4-8-13)17(15(20)18-16(21)19-17)12-5-9-14(23-2)10-6-12/h3-10H,1-2H3,(H2,18,19,20,21)
• Molecular Weight: 312.320

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: Diphenylmethanes Phenylimidazolidines Alpha amino acids and derivatives Phenoxy compounds 5-monosubstituted hydantoins Methoxybenzenes Anisoles Alkyl aryl ethers N-acyl ureas Dicarboximides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - 5-phenylhydantoin - Phenylimidazolidine - Alpha-amino acid or derivatives - Anisole - Phenoxy compound - Phenol ether - 5-monosubstituted hydantoin - Methoxybenzene - Ureide - Alkyl aryl ether - N-acyl urea - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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: Not available

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: 312.320 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 312.111 Da
• Monoisotopic Mass: 312.111 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 428.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1