5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one

C16H24N2OS2 — CID 83264326

IUPAC5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(SC)cc2)N(CCCSC)C1=O
InChIInChI=1S/C16H24N2OS2/c1-4-14-16(19)18(10-5-11-20-2)15(17-14)12-6-8-13(21-3)9-7-12/h6-9,14-15,17H,4-5,10-11H2,1-3H3
InChIKeyRTKPYDLMGXLYLV-UHFFFAOYSA-N
MW324.52 g/mol
LogP3.37
Rot. Bonds7

About 5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one

5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one (PubChem CID 83264326) has the molecular formula C16H24N2OS2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
PubChem CID83264326
Molecular FormulaC16H24N2OS2
Molecular Weight324.52 g/mol
Exact Mass324.13
IUPAC Name5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(SC)cc2)N(CCCSC)C1=O
InChIInChI=1S/C16H24N2OS2/c1-4-14-16(19)18(10-5-11-20-2)15(17-14)12-6-8-13(21-3)9-7-12/h6-9,14-15,17H,4-5,10-11H2,1-3H3
InChIKeyRTKPYDLMGXLYLV-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83256953
5-(2-methylpropyl)-2-(4-methylsulfanylphenyl)-3-propylimidazolidin-4-one
CID 83246427
2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83264334
5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83264187
2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83257869
3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83238950
2-(4-chlorophenyl)-3-(3-ethoxypropyl)-5-ethylimidazolidin-4-one
CID 83233410
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83258190
5-ethyl-2-(4-ethylphenyl)-3-(3-methoxypropyl)imidazolidin-4-one
CID 83246243
3-(2-cyclopropylethyl)-5-ethyl-2-(4-fluorophenyl)imidazolidin-4-one
CID 83258448
5-ethyl-2-(4-methoxyphenyl)-3-propylimidazolidin-4-one
CID 83242345
2-(3,4-difluorophenyl)-5-ethyl-3-propylimidazolidin-4-one
CID 83241892

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one (CID 83264326) is 5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one is CCC1NC(c2ccc(SC)cc2)N(CCCSC)C1=O.
What is the InChIKey of 5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The InChIKey is RTKPYDLMGXLYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS2/c1-4-14-16(19)18(10-5-11-20-2)15(17-14)12-6-8-13(21-3)9-7-12/h6-9,14-15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one has a molecular weight of 324.52 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-methylsulfanylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83264326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).