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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL122334
CHEMBL122334
Compound Name HYDANTOIN
ChEMBL Synonyms Hydantoin | Imidazolidine-2,4-Dione
Max Phase 0
Trade Names
Molecular Formula C3H4N2O2

Additional synonyms for CHEMBL122334 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1CNC(=O)N1
Standard InChI InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
Standard InChI Key WJRBRSLFGCUECM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL122334

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
100.1 100.0273 -1.17 0 58.2 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.7 - -.98 -1.01 0 7 0.38

Structural Alerts

There are 1 structural alerts for CHEMBL122334. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WJRBRSLFGCUECM-UHFFFAOYSA-N
PubChem SID: 49674501 SID: 74746
Wikipedia Hydantoin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL122334



ACToR 461-72-3 345341-10-8
Brenda 1446
ChEBI 27612
ChemicalBook CB2352752
eMolecules 483839
EPA CompTox Dashboard DTXSID1052111
FDA SRS I6208298TA
IBM Patent System 7B6F2319ED855F398254130D6CB05D58
KEGG Ligand C05146
Mcule MCULE-6812812243
MolPort MolPort-001-788-370
Nikkaji J2.588G
NMRShiftDB 10025298
PDBe HYN
PubChem 10006
PubChem: Thomson Pharma 15296981
SureChEMBL SCHEMBL27690
ZINC ZINC000005133259

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WJRBRSLFGCUECM-UHFFFAOYSA-N spacer
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