(5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

C20H20N2O3S — CID 9341839

IUPAC(5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCCCOc1ccc(/C=C2\NC(=S)N(c3ccc(C)cc3)C2=O)c(O)c1
InChIInChI=1S/C20H20N2O3S/c1-3-10-25-16-9-6-14(18(23)12-16)11-17-19(24)22(20(26)21-17)15-7-4-13(2)5-8-15/h4-9,11-12,23H,3,10H2,1-2H3,(H,21,26)/b17-11-
InChIKeySXOOWPFFRJSRHF-BOPFTXTBSA-N
MW368.46 g/mol
LogP3.75
Rot. Bonds5

About (5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 9341839) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is (5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID9341839
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name(5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCCCOc1ccc(/C=C2\NC(=S)N(c3ccc(C)cc3)C2=O)c(O)c1
InChIInChI=1S/C20H20N2O3S/c1-3-10-25-16-9-6-14(18(23)12-16)11-17-19(24)22(20(26)21-17)15-7-4-13(2)5-8-15/h4-9,11-12,23H,3,10H2,1-2H3,(H,21,26)/b17-11-
InChIKeySXOOWPFFRJSRHF-BOPFTXTBSA-N
XLogP3.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 6445774
3-(4-chlorophenyl)-5-[(2,4-diethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2904255
3-(4-bromophenyl)-5-[(2,4-diethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2904452
(5Z)-5-[(3-butoxy-4-methoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 9342019
5-[(2,4-diethoxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 1020242
(5Z)-5-[(2,4-diethoxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 1020243
(5E)-3-(4-ethoxyphenyl)-5-[[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547533
(5Z)-3-(4-methylphenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 6434616
(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 9341847
(5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 1489885
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 5411597
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 5294448

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 9341839) is (5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is CCCOc1ccc(/C=C2\NC(=S)N(c3ccc(C)cc3)C2=O)c(O)c1.
What is the InChIKey of (5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SXOOWPFFRJSRHF-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-10-25-16-9-6-14(18(23)12-16)11-17-19(24)22(20(26)21-17)15-7-4-13(2)5-8-15/h4-9,11-12,23H,3,10H2,1-2H3,(H,21,26)/b17-11-.
What are the key properties of (5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 368.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-hydroxy-4-propoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 9341839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).