3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one

C11H10Cl2N2OS — CID 19425383

IUPAC3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1CC(=O)N(c2ccc(Cl)cc2Cl)C1=S
InChIInChI=1S/C11H10Cl2N2OS/c1-2-14-6-10(16)15(11(14)17)9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3
InChIKeyGRQDHYSORYMGNF-UHFFFAOYSA-N
MW289.19 g/mol
LogP2.95
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one

3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 19425383) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID19425383
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1CC(=O)N(c2ccc(Cl)cc2Cl)C1=S
InChIInChI=1S/C11H10Cl2N2OS/c1-2-14-6-10(16)15(11(14)17)9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3
InChIKeyGRQDHYSORYMGNF-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one (CID 19425383) is 3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one is CCN1CC(=O)N(c2ccc(Cl)cc2Cl)C1=S.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GRQDHYSORYMGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c1-2-14-6-10(16)15(11(14)17)9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one?
3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 289.19 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-ethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 19425383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).