(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

C16H12Cl2N2O2S — CID 2180986

IUPAC(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)N(C)C1=S
InChIInChI=1S/C16H12Cl2N2O2S/c1-19-12(15(21)20(2)16(19)23)8-9-6-7-13(22-9)10-4-3-5-11(17)14(10)18/h3-8H,1-2H3/b12-8-
InChIKeyZURKJQWJXUHQBD-WQLSENKSSA-N
MW367.26 g/mol
LogP4.28
Rot. Bonds2

About (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 2180986) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID2180986
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC Name(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)N(C)C1=S
InChIInChI=1S/C16H12Cl2N2O2S/c1-19-12(15(21)20(2)16(19)23)8-9-6-7-13(22-9)10-4-3-5-11(17)14(10)18/h3-8H,1-2H3/b12-8-
InChIKeyZURKJQWJXUHQBD-WQLSENKSSA-N
XLogP4.28
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (CID 2180986) is (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)N(C)C1=S.
What is the InChIKey of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ZURKJQWJXUHQBD-WQLSENKSSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c1-19-12(15(21)20(2)16(19)23)8-9-6-7-13(22-9)10-4-3-5-11(17)14(10)18/h3-8H,1-2H3/b12-8-.
What are the key properties of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 367.26 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2180986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).