(5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

C18H16N2O3S — CID 6530569

IUPAC(5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCCOc1cccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c1O
InChIInChI=1S/C18H16N2O3S/c1-2-23-15-10-6-7-12(16(15)21)11-14-17(22)20(18(24)19-14)13-8-4-3-5-9-13/h3-11,21H,2H2,1H3,(H,19,24)/b14-11-
InChIKeyKRQZPYPURIYBQW-KAMYIIQDSA-N
MW340.40 g/mol
LogP3.05
Rot. Bonds4

About (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 6530569) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID6530569
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCCOc1cccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c1O
InChIInChI=1S/C18H16N2O3S/c1-2-23-15-10-6-7-12(16(15)21)11-14-17(22)20(18(24)19-14)13-8-4-3-5-9-13/h3-11,21H,2H2,1H3,(H,19,24)/b14-11-
InChIKeyKRQZPYPURIYBQW-KAMYIIQDSA-N
XLogP3.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 6530569) is (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is CCOc1cccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c1O.
What is the InChIKey of (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is KRQZPYPURIYBQW-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-2-23-15-10-6-7-12(16(15)21)11-14-17(22)20(18(24)19-14)13-8-4-3-5-9-13/h3-11,21H,2H2,1H3,(H,19,24)/b14-11-.
What are the key properties of (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 340.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 6530569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).