1-phenylimidazolidine-2,4,5-trione

C9H6N2O3 — CID 577259

IUPAC1-phenylimidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C9H6N2O3/c12-7-8(13)11(9(14)10-7)6-4-2-1-3-5-6/h1-5H,(H,10,12,14)
InChIKeyAVIPDXGMHBJIGG-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.27
Rot. Bonds1

About 1-phenylimidazolidine-2,4,5-trione

1-phenylimidazolidine-2,4,5-trione (PubChem CID 577259) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 1-phenylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-phenylimidazolidine-2,4,5-trione
PubChem CID577259
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name1-phenylimidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C9H6N2O3/c12-7-8(13)11(9(14)10-7)6-4-2-1-3-5-6/h1-5H,(H,10,12,14)
InChIKeyAVIPDXGMHBJIGG-UHFFFAOYSA-N
XLogP0.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenylimidazolidine-2,4,5-trione?
The IUPAC name of 1-phenylimidazolidine-2,4,5-trione (CID 577259) is 1-phenylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-phenylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-phenylimidazolidine-2,4,5-trione is O=C1NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 1-phenylimidazolidine-2,4,5-trione?
The InChIKey is AVIPDXGMHBJIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-7-8(13)11(9(14)10-7)6-4-2-1-3-5-6/h1-5H,(H,10,12,14).
What are the key properties of 1-phenylimidazolidine-2,4,5-trione?
1-phenylimidazolidine-2,4,5-trione has a molecular weight of 190.16 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylimidazolidine-2,4,5-trione is sourced from PubChem (CID 577259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).