1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione

C8H11Cl3N2O3S — CID 23311298

IUPAC1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione
SMILESCOC(C)N1C(=O)N(SC(Cl)(Cl)Cl)C(=O)C1C
InChIInChI=1S/C8H11Cl3N2O3S/c1-4-6(14)13(17-8(9,10)11)7(15)12(4)5(2)16-3/h4-5H,1-3H3
InChIKeyDYKAXHZFUNUVHH-UHFFFAOYSA-N
MW321.61 g/mol
LogP2.61
Rot. Bonds3

About 1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione

1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione (PubChem CID 23311298) has the molecular formula C8H11Cl3N2O3S and a molecular weight of 321.61 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione
PubChem CID23311298
Molecular FormulaC8H11Cl3N2O3S
Molecular Weight321.61 g/mol
Exact Mass319.96
IUPAC Name1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione
SMILESCOC(C)N1C(=O)N(SC(Cl)(Cl)Cl)C(=O)C1C
InChIInChI=1S/C8H11Cl3N2O3S/c1-4-6(14)13(17-8(9,10)11)7(15)12(4)5(2)16-3/h4-5H,1-3H3
InChIKeyDYKAXHZFUNUVHH-UHFFFAOYSA-N
XLogP2.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione (CID 23311298) is 1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione is COC(C)N1C(=O)N(SC(Cl)(Cl)Cl)C(=O)C1C.
What is the InChIKey of 1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione?
The InChIKey is DYKAXHZFUNUVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl3N2O3S/c1-4-6(14)13(17-8(9,10)11)7(15)12(4)5(2)16-3/h4-5H,1-3H3.
What are the key properties of 1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione?
1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione has a molecular weight of 321.61 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione is sourced from PubChem (CID 23311298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).