1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

C20H16N2O6 — CID 2540215

IUPAC1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H16N2O6/c23-15(14-6-7-16-17(10-14)28-9-8-27-16)12-22-19(25)18(24)21(20(22)26)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2
InChIKeyWBHVIFFFODUPIY-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.63
Rot. Bonds5

About 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 2540215) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID2540215
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Name1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H16N2O6/c23-15(14-6-7-16-17(10-14)28-9-8-27-16)12-22-19(25)18(24)21(20(22)26)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2
InChIKeyWBHVIFFFODUPIY-UHFFFAOYSA-N
XLogP1.63
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 2540215) is 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is WBHVIFFFODUPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c23-15(14-6-7-16-17(10-14)28-9-8-27-16)12-22-19(25)18(24)21(20(22)26)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2.
What are the key properties of 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 380.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 2540215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).