1-phenylimidazolidine-2,4-dione

C9H8N2O2 — CID 570576

IUPAC1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1
InChIInChI=1S/C9H8N2O2/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13)
InChIKeyMPAFAYXEPQCBPP-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.74
Rot. Bonds1

About 1-phenylimidazolidine-2,4-dione

1-phenylimidazolidine-2,4-dione (PubChem CID 570576) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-phenylimidazolidine-2,4-dione
PubChem CID570576
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1
InChIInChI=1S/C9H8N2O2/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13)
InChIKeyMPAFAYXEPQCBPP-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-phenylimidazolidine-2,4-dione (CID 570576) is 1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-phenylimidazolidine-2,4-dione is O=C1CN(c2ccccc2)C(=O)N1.
What is the InChIKey of 1-phenylimidazolidine-2,4-dione?
The InChIKey is MPAFAYXEPQCBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13).
What are the key properties of 1-phenylimidazolidine-2,4-dione?
1-phenylimidazolidine-2,4-dione has a molecular weight of 176.18 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 570576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).