1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione

C18H16N2O4 — CID 2765710

IUPAC1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(Cc2ccccc2)C(=O)N1CCOc1ccccc1
InChIInChI=1S/C18H16N2O4/c21-16-17(22)20(13-14-7-3-1-4-8-14)18(23)19(16)11-12-24-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyJCFHAFVNBTYUIY-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.06
Rot. Bonds6

About 1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione

1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione (PubChem CID 2765710) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione
PubChem CID2765710
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(Cc2ccccc2)C(=O)N1CCOc1ccccc1
InChIInChI=1S/C18H16N2O4/c21-16-17(22)20(13-14-7-3-1-4-8-14)18(23)19(16)11-12-24-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyJCFHAFVNBTYUIY-UHFFFAOYSA-N
XLogP2.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
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-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione (CID 2765710) is 1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione is O=C1C(=O)N(Cc2ccccc2)C(=O)N1CCOc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione?
The InChIKey is JCFHAFVNBTYUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-16-17(22)20(13-14-7-3-1-4-8-14)18(23)19(16)11-12-24-15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione?
1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione has a molecular weight of 324.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-phenoxyethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 2765710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).