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

C16H24N2O2S — CID 83264187

IUPAC5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCCC1NC(c2ccccc2OC)N(CCCSC)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-13-16(19)18(10-7-11-21-3)15(17-13)12-8-5-6-9-14(12)20-2/h5-6,8-9,13,15,17H,4,7,10-11H2,1-3H3
InChIKeyOVUHEMBGNFXKBH-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.66
Rot. Bonds7

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

5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one (PubChem CID 83264187) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
PubChem CID83264187
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCCC1NC(c2ccccc2OC)N(CCCSC)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-13-16(19)18(10-7-11-21-3)15(17-13)12-8-5-6-9-14(12)20-2/h5-6,8-9,13,15,17H,4,7,10-11H2,1-3H3
InChIKeyOVUHEMBGNFXKBH-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.66
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-2-(2-methoxyphenyl)-3-pentylimidazolidin-4-one
CID 83245971
2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83264334
5-ethyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83256953
3-butyl-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 83237650
3-cyclopentyl-5-ethyl-2-(2-methoxyphenyl)imidazolidin-4-one
CID 83245657
3-(cyclopropylmethyl)-2-(2-methoxyphenyl)-5-propylimidazolidin-4-one
CID 83247518
2-(2,5-dimethylphenyl)-5-ethyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257120
3-(2-cyclopropylethyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83258610
3,5-diethyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83239063
2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one
CID 83242516
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83258190
2-(2-methoxyphenyl)-3,5-dimethylimidazolidin-4-one
CID 83261836

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one (CID 83264187) is 5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one is CCC1NC(c2ccccc2OC)N(CCCSC)C1=O.
What is the InChIKey of 5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The InChIKey is OVUHEMBGNFXKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-13-16(19)18(10-7-11-21-3)15(17-13)12-8-5-6-9-14(12)20-2/h5-6,8-9,13,15,17H,4,7,10-11H2,1-3H3.
What are the key properties of 5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one has a molecular weight of 308.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methoxyphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83264187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).