1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione

C13H16N2O4 — CID 79777449

IUPAC1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione
SMILESCCOc1ccc(OCC)c(N2CC(=O)NC2=O)c1
InChIInChI=1S/C13H16N2O4/c1-3-18-9-5-6-11(19-4-2)10(7-9)15-8-12(16)14-13(15)17/h5-7H,3-4,8H2,1-2H3,(H,14,16,17)
InChIKeyDAWLKMCNUNZGRC-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.54
Rot. Bonds5

About 1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione

1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione (PubChem CID 79777449) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione
PubChem CID79777449
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione
SMILESCCOc1ccc(OCC)c(N2CC(=O)NC2=O)c1
InChIInChI=1S/C13H16N2O4/c1-3-18-9-5-6-11(19-4-2)10(7-9)15-8-12(16)14-13(15)17/h5-7H,3-4,8H2,1-2H3,(H,14,16,17)
InChIKeyDAWLKMCNUNZGRC-UHFFFAOYSA-N
XLogP1.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-diethoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione (CID 79777449) is 1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione is CCOc1ccc(OCC)c(N2CC(=O)NC2=O)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is DAWLKMCNUNZGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-18-9-5-6-11(19-4-2)10(7-9)15-8-12(16)14-13(15)17/h5-7H,3-4,8H2,1-2H3,(H,14,16,17).
What are the key properties of 1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione?
1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 264.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 79777449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).