5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione

C11H11ClN2O3 — CID 20716

IUPAC5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(COc2ccc(Cl)cc2)NC(=O)NC1=O
InChIInChI=1S/C11H11ClN2O3/c1-11(9(15)13-10(16)14-11)6-17-8-4-2-7(12)3-5-8/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyCEAUHZXBQOVWSY-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.32
Rot. Bonds3

About 5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione

5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 20716) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID20716
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(COc2ccc(Cl)cc2)NC(=O)NC1=O
InChIInChI=1S/C11H11ClN2O3/c1-11(9(15)13-10(16)14-11)6-17-8-4-2-7(12)3-5-8/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyCEAUHZXBQOVWSY-UHFFFAOYSA-N
XLogP1.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione (CID 20716) is 5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione is CC1(COc2ccc(Cl)cc2)NC(=O)NC1=O.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is CEAUHZXBQOVWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-11(9(15)13-10(16)14-11)6-17-8-4-2-7(12)3-5-8/h2-5H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione?
5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 254.67 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 20716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).