3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione

C13H14Cl2N2O2S — CID 21498457

IUPAC3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSC(C)C1NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O2S/c1-7(20-2)11-12(18)17(13(19)16-11)6-8-3-4-9(14)5-10(8)15/h3-5,7,11H,6H2,1-2H3,(H,16,19)
InChIKeyXRSJMUAOZGCXFH-UHFFFAOYSA-N
MW333.24 g/mol
LogP3.17
Rot. Bonds4

About 3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione

3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione (PubChem CID 21498457) has the molecular formula C13H14Cl2N2O2S and a molecular weight of 333.24 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione
PubChem CID21498457
Molecular FormulaC13H14Cl2N2O2S
Molecular Weight333.24 g/mol
Exact Mass332.02
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSC(C)C1NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O2S/c1-7(20-2)11-12(18)17(13(19)16-11)6-8-3-4-9(14)5-10(8)15/h3-5,7,11H,6H2,1-2H3,(H,16,19)
InChIKeyXRSJMUAOZGCXFH-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 112774880
(1R,2S,6S,7R)-4-[(2,4-dichlorophenyl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 126387003
(1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
CID 40558206
(1S,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
CID 40558205
1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione
CID 94697420
1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one
CID 67305124
3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione
CID 119038354
(5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione
CID 100761174
3-chloro-4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]benzonitrile
CID 102665628
4-[(2,4-dichlorophenyl)methyl]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 2967024
5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione
CID 106702943
2-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-one
CID 170923995

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione (CID 21498457) is 3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione is CSC(C)C1NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione?
The InChIKey is XRSJMUAOZGCXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S/c1-7(20-2)11-12(18)17(13(19)16-11)6-8-3-4-9(14)5-10(8)15/h3-5,7,11H,6H2,1-2H3,(H,16,19).
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione?
3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione has a molecular weight of 333.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 21498457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).