(5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one

C11H9ClN2OS — CID 3001907

IUPAC(5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one
SMILESC/C(=C1\NC(=S)NC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2OS/c1-6(7-2-4-8(12)5-3-7)9-10(15)14-11(16)13-9/h2-5H,1H3,(H2,13,14,15,16)/b9-6+
InChIKeyJMGLFFALJSYHCI-RMKNXTFCSA-N
MW252.73 g/mol
LogP2.08
Rot. Bonds1

About (5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 3001907) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is (5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID3001907
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name(5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one
SMILESC/C(=C1\NC(=S)NC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2OS/c1-6(7-2-4-8(12)5-3-7)9-10(15)14-11(16)13-9/h2-5H,1H3,(H2,13,14,15,16)/b9-6+
InChIKeyJMGLFFALJSYHCI-RMKNXTFCSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one (CID 3001907) is (5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one is C/C(=C1\NC(=S)NC1=O)c1ccc(Cl)cc1.
What is the InChIKey of (5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is JMGLFFALJSYHCI-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-6(7-2-4-8(12)5-3-7)9-10(15)14-11(16)13-9/h2-5H,1H3,(H2,13,14,15,16)/b9-6+.
What are the key properties of (5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 252.73 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3001907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).