chempirical

Phenylhydantoin

C9H8N2O2CAS 89-24-7176.17 g/mol

Open in Covalent MOL file
ONHOHN

Properties

Molecular formula
C9H8N2O2
Molar mass
176.17 g/mol
Exact mass
176.0586 Da
Melting point
134–135 °C
logP
1.61Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number
89-24-7
SMILES
OC1=NC(c2ccccc2)C(O)=N1
InChIKey
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)

Weigh it out

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Names and synonyms

10 names
  • 2,4-Imidazolidinedione, 5-phenyl-
  • Hydantoin, 5-phenyl-
  • 5-Phenyl-2,4-imidazolidinedione
  • 5-Phenylhydantoin
  • DL-5-Phenylhydantoin
  • (±)-5-Phenylhydantoin
  • NSC 27302
  • NSC 40885
  • NSC 51847
  • 5-Phenylimidazoline-2,4-dione

Work with Phenylhydantoin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-(4-Hydroxyphenyl)imidazolidine-2,4-dione2420-17-969 % similar 5-(4-Hydroxyphenyl)-2,4-imidazolidinedione54832-24-569 % similar 5-(Phenylmethyl)-2,4-imidazolidinedione3530-82-353 % similar Hydroxy(phenyl)acetic acid hydrazide2443-66-541 % similar N-Acetyl-DL-phenylglycine15962-46-640 % similar (alphaR)-alpha-((Methoxycarbonyl)amino)benzeneacetic acid50890-96-537 % similar 5-Isopropylhydantoin16935-34-537 % similar Rel-(3R,4S)-3-(Acetyloxy)-4-phenyl-2-azetidinone133066-59-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methyl-1H-indazole-3-carboxylic acid1201-24-7 Methyl 7-azaindole-6-carboxylate1256825-86-1 Methyl imidazo(1,2-a)pyridine-6-carboxylate136117-69-6 5-Amino-1H-indole-2-carboxylic acid152213-40-6 Methyl 1H-indazole-6-carboxylate170487-40-8 Imidazo[1,2-a]pyridine-3-acetic acid17745-04-9 4-(1H)Indazole carboxylic acid methyl ester192945-49-6 Pemoline2152-34-3

Elsewhere

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