(5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

C16H11ClN2OS — CID 6434328

IUPAC(5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C\c2cccc(Cl)c2)NC(=S)N1c1ccccc1
InChIInChI=1S/C16H11ClN2OS/c17-12-6-4-5-11(9-12)10-14-15(20)19(16(21)18-14)13-7-2-1-3-8-13/h1-10H,(H,18,21)/b14-10+
InChIKeyNARMGNUHWXMITK-GXDHUFHOSA-N
MW314.80 g/mol
LogP3.60
Rot. Bonds2

About (5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 6434328) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is (5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID6434328
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name(5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C\c2cccc(Cl)c2)NC(=S)N1c1ccccc1
InChIInChI=1S/C16H11ClN2OS/c17-12-6-4-5-11(9-12)10-14-15(20)19(16(21)18-14)13-7-2-1-3-8-13/h1-10H,(H,18,21)/b14-10+
InChIKeyNARMGNUHWXMITK-GXDHUFHOSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
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-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 6434328) is (5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1/C(=C\c2cccc(Cl)c2)NC(=S)N1c1ccccc1.
What is the InChIKey of (5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is NARMGNUHWXMITK-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-12-6-4-5-11(9-12)10-14-15(20)19(16(21)18-14)13-7-2-1-3-8-13/h1-10H,(H,18,21)/b14-10+.
What are the key properties of (5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 314.80 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 6434328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).