(5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C17H13ClN2O3S — CID 9341612

IUPAC(5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(O)c(/C=C2\NC(=S)N(c3ccccc3Cl)C2=O)c1
InChIInChI=1S/C17H13ClN2O3S/c1-23-11-6-7-15(21)10(8-11)9-13-16(22)20(17(24)19-13)14-5-3-2-4-12(14)18/h2-9,21H,1H3,(H,19,24)/b13-9-
InChIKeyJBLKZOCBADPWNO-LCYFTJDESA-N
MW360.82 g/mol
LogP3.32
Rot. Bonds3

About (5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 9341612) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is (5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID9341612
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name(5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(O)c(/C=C2\NC(=S)N(c3ccccc3Cl)C2=O)c1
InChIInChI=1S/C17H13ClN2O3S/c1-23-11-6-7-15(21)10(8-11)9-13-16(22)20(17(24)19-13)14-5-3-2-4-12(14)18/h2-9,21H,1H3,(H,19,24)/b13-9-
InChIKeyJBLKZOCBADPWNO-LCYFTJDESA-N
XLogP3.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.32
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)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 9341564
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(2-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 24510479
5-[(2-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 951261
(5Z)-3-(2-chlorophenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6447407
(5Z)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3-(2-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 24510528
(5E)-5-[(3,5-dimethoxyphenyl)methylidene]-3-(2-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26502437
(5Z)-1-(3-chloro-2-methylphenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2190811
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 24510506
5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 5241811
(5E)-1-(2-chlorophenyl)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione
CID 1417935
5-[(5-bromo-2-hydroxyphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6615696
(5Z)-3-(3-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6435145

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 9341612) is (5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is COc1ccc(O)c(/C=C2\NC(=S)N(c3ccccc3Cl)C2=O)c1.
What is the InChIKey of (5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is JBLKZOCBADPWNO-LCYFTJDESA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c1-23-11-6-7-15(21)10(8-11)9-13-16(22)20(17(24)19-13)14-5-3-2-4-12(14)18/h2-9,21H,1H3,(H,19,24)/b13-9-.
What are the key properties of (5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 360.82 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-chlorophenyl)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 9341612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).