(5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C20H20N2O2S — CID 26492942

IUPAC(5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCc1cccc(N2C(=O)/C(=C\c3cc(C)c(O)c(C)c3)NC2=S)c1
InChIInChI=1S/C20H20N2O2S/c1-4-14-6-5-7-16(10-14)22-19(24)17(21-20(22)25)11-15-8-12(2)18(23)13(3)9-15/h5-11,23H,4H2,1-3H3,(H,21,25)/b17-11+
InChIKeyOLRDMVPWLYYMRA-GZTJUZNOSA-N
MW352.46 g/mol
LogP3.83
Rot. Bonds3

About (5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 26492942) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID26492942
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name(5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCc1cccc(N2C(=O)/C(=C\c3cc(C)c(O)c(C)c3)NC2=S)c1
InChIInChI=1S/C20H20N2O2S/c1-4-14-6-5-7-16(10-14)22-19(24)17(21-20(22)25)11-15-8-12(2)18(23)13(3)9-15/h5-11,23H,4H2,1-3H3,(H,21,25)/b17-11+
InChIKeyOLRDMVPWLYYMRA-GZTJUZNOSA-N
XLogP3.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(4-bromophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26492858
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26492856
(5E)-5-[(3,4-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26492959
(5E)-3-(3-ethylphenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 26492936
5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 72688892
methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate
CID 27718625
(5E)-3-(3-ethylphenyl)-2-sulfanylidene-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]imidazolidin-4-one
CID 46534735
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 6434612
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 2133161
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 60531301
(5Z)-3-(2-methylphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6446511
(5E)-3-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 9342484

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 26492942) is (5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is CCc1cccc(N2C(=O)/C(=C\c3cc(C)c(O)c(C)c3)NC2=S)c1.
What is the InChIKey of (5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is OLRDMVPWLYYMRA-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-4-14-6-5-7-16(10-14)22-19(24)17(21-20(22)25)11-15-8-12(2)18(23)13(3)9-15/h5-11,23H,4H2,1-3H3,(H,21,25)/b17-11+.
What are the key properties of (5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 352.46 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 26492942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).