1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

C18H18N2O2S — CID 134092663

IUPAC1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCCOc1ccc(N2CC(=O)N(c3ccc(C)cc3)C2=S)cc1
InChIInChI=1S/C18H18N2O2S/c1-3-22-16-10-8-14(9-11-16)19-12-17(21)20(18(19)23)15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3
InChIKeyLIIITPHDHAXQKP-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 134092663) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID134092663
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCCOc1ccc(N2CC(=O)N(c3ccc(C)cc3)C2=S)cc1
InChIInChI=1S/C18H18N2O2S/c1-3-22-16-10-8-14(9-11-16)19-12-17(21)20(18(19)23)15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3
InChIKeyLIIITPHDHAXQKP-UHFFFAOYSA-N
XLogP3.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one
CID 3744324
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 682116
3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one
CID 11392810
1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2865163
1-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 2848649
3-ethoxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 848849
(5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1380334
(2S,6R,7S)-4-(4-ethoxyphenyl)-7-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 6355445
(2S,6R,7R)-4-(4-ethoxyphenyl)-7-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 11901120
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
2-(4-ethoxyphenyl)-5-methyl-4H-pyrazol-3-one
CID 10236105
(5E)-3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6388432

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 134092663) is 1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is CCOc1ccc(N2CC(=O)N(c3ccc(C)cc3)C2=S)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LIIITPHDHAXQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-22-16-10-8-14(9-11-16)19-12-17(21)20(18(19)23)15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 326.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 134092663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).