5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione

C12H13ClN2O3 — CID 142170667

IUPAC5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(OCC2(C)NC(=O)NC2=O)cc1Cl
InChIInChI=1S/C12H13ClN2O3/c1-7-3-4-8(5-9(7)13)18-6-12(2)10(16)14-11(17)15-12/h3-5H,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyVZJPDXUXGSPLRT-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.63
Rot. Bonds3

About 5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione

5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 142170667) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID142170667
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(OCC2(C)NC(=O)NC2=O)cc1Cl
InChIInChI=1S/C12H13ClN2O3/c1-7-3-4-8(5-9(7)13)18-6-12(2)10(16)14-11(17)15-12/h3-5H,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyVZJPDXUXGSPLRT-UHFFFAOYSA-N
XLogP1.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-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-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione (CID 142170667) is 5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione is Cc1ccc(OCC2(C)NC(=O)NC2=O)cc1Cl.
What is the InChIKey of 5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is VZJPDXUXGSPLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-7-3-4-8(5-9(7)13)18-6-12(2)10(16)14-11(17)15-12/h3-5H,6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione?
5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 268.70 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-methylphenoxy)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 142170667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).