5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione

C13H16N2O3 — CID 535262

IUPAC5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)COc1ccc(C2NC(=O)NC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-8(2)7-18-10-5-3-9(4-6-10)11-12(16)15-13(17)14-11/h3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyUMLAJAIAPYSCJR-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.60
Rot. Bonds4

About 5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione

5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 535262) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
PubChem CID535262
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)COc1ccc(C2NC(=O)NC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-8(2)7-18-10-5-3-9(4-6-10)11-12(16)15-13(17)14-11/h3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyUMLAJAIAPYSCJR-UHFFFAOYSA-N
XLogP1.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione 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 5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione (CID 535262) is 5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione is CC(C)COc1ccc(C2NC(=O)NC2=O)cc1.
What is the InChIKey of 5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is UMLAJAIAPYSCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)7-18-10-5-3-9(4-6-10)11-12(16)15-13(17)14-11/h3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 248.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 535262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).