3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

C13H14Cl2N2O4S — CID 42921138

IUPAC3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCC1NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O4S/c1-22(20,21)5-4-11-12(18)17(13(19)16-11)7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)
InChIKeyAMADZIRPGWIELN-UHFFFAOYSA-N
MW365.24 g/mol
LogP1.85
Rot. Bonds5

About 3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 42921138) has the molecular formula C13H14Cl2N2O4S and a molecular weight of 365.24 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID42921138
Molecular FormulaC13H14Cl2N2O4S
Molecular Weight365.24 g/mol
Exact Mass364.01
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCC1NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O4S/c1-22(20,21)5-4-11-12(18)17(13(19)16-11)7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)
InChIKeyAMADZIRPGWIELN-UHFFFAOYSA-N
XLogP1.85
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)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 3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 42921138) is 3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is CS(=O)(=O)CCC1NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is AMADZIRPGWIELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O4S/c1-22(20,21)5-4-11-12(18)17(13(19)16-11)7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19).
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 365.24 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42921138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).