Summary

IMPPAT Phytochemical identifier: IMPHY013762

Phytochemical name: Hydantoin

Synonymous chemical names:
2,4-imidazolidinedione

External chemical identifiers:
CID:10006, ChEMBL:CHEMBL122334, ChEBI:27612, ZINC:ZINC000005133259, FDASRS:I6208298TA, SureChEMBL:SCHEMBL27690, MolPort-001-788-370

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Chemical structure information

SMILES:
O=C1NCC(=O)N1

InChI:
InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)

InChIKey:
WJRBRSLFGCUECM-UHFFFAOYSA-N

DeepSMILES:
O=CNCC=O)N5

Functional groups:
O=C1CNC(=O)N1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CNC(=O)N1

Scaffold Graph/Node level:
OC1CNC(O)N1

Scaffold Graph level:
CC1CCC(C)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azoles

ClassyFire Subclass: Imidazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP-Likeness score: -0.159

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Chemical structure download