1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione

C15H10N2O4 — CID 43331591

IUPAC1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2ccccc2Oc2ccccc2)C1=O
InChIInChI=1S/C15H10N2O4/c18-13-14(19)17(15(20)16-13)11-8-4-5-9-12(11)21-10-6-2-1-3-7-10/h1-9H,(H,16,18,20)
InChIKeyXKKBIHGOSUEEKX-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.06
Rot. Bonds3

About 1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione

1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione (PubChem CID 43331591) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is 1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione
PubChem CID43331591
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Name1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2ccccc2Oc2ccccc2)C1=O
InChIInChI=1S/C15H10N2O4/c18-13-14(19)17(15(20)16-13)11-8-4-5-9-12(11)21-10-6-2-1-3-7-10/h1-9H,(H,16,18,20)
InChIKeyXKKBIHGOSUEEKX-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-phenoxyphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione (CID 43331591) is 1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(c2ccccc2Oc2ccccc2)C1=O.
What is the InChIKey of 1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione?
The InChIKey is XKKBIHGOSUEEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-13-14(19)17(15(20)16-13)11-8-4-5-9-12(11)21-10-6-2-1-3-7-10/h1-9H,(H,16,18,20).
What are the key properties of 1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione?
1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione has a molecular weight of 282.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 43331591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).