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

C17H11Cl3N2O2S — CID 171988358

IUPAC(5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1c(Cl)cc(Cl)cc1/C=C1\NC(=S)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H11Cl3N2O2S/c1-24-15-9(6-11(19)8-13(15)20)7-14-16(23)22(17(25)21-14)12-4-2-10(18)3-5-12/h2-8H,1H3,(H,21,25)/b14-7-
InChIKeyNUPDZYASBFOIAE-AUWJEWJLSA-N
MW413.71 g/mol
LogP4.92
Rot. Bonds3

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

(5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 171988358) has the molecular formula C17H11Cl3N2O2S and a molecular weight of 413.71 g/mol. Its IUPAC name is (5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID171988358
Molecular FormulaC17H11Cl3N2O2S
Molecular Weight413.71 g/mol
Exact Mass411.96
IUPAC Name(5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1c(Cl)cc(Cl)cc1/C=C1\NC(=S)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H11Cl3N2O2S/c1-24-15-9(6-11(19)8-13(15)20)7-14-16(23)22(17(25)21-14)12-4-2-10(18)3-5-12/h2-8H,1H3,(H,21,25)/b14-7-
InChIKeyNUPDZYASBFOIAE-AUWJEWJLSA-N
XLogP4.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.71
LogP ≤ 54.92
H-Bond Donors ≤ 51
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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Related Compounds

5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 884257
(5E)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1487296
5-[(2-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 951261
5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4605919
3-(4-chlorophenyl)-5-[(2,4-diethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2904255
(5E)-5-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 19545893
(5Z)-5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-(4-chloro-2-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 29108792
5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-1-(4-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2861348
(5E)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 126047889
(5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 126056364
(5Z)-3-(3-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6435145
3-(4-chlorophenyl)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 4073281

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 171988358) is (5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is COc1c(Cl)cc(Cl)cc1/C=C1\NC(=S)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is NUPDZYASBFOIAE-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H11Cl3N2O2S/c1-24-15-9(6-11(19)8-13(15)20)7-14-16(23)22(17(25)21-14)12-4-2-10(18)3-5-12/h2-8H,1H3,(H,21,25)/b14-7-.
What are the key properties of (5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 413.71 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 171988358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).