(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one

C19H15F3N2O3S — CID 1385398

IUPAC(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCOc1ccc(/C=C2\NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1
InChIInChI=1S/C19H15F3N2O3S/c1-26-14-7-6-11(16(10-14)27-2)8-15-17(25)24(18(28)23-15)13-5-3-4-12(9-13)19(20,21)22/h3-10H,1-2H3,(H,23,28)/b15-8-
InChIKeyUQIMUARVWMEAEC-NVNXTCNLSA-N
MW408.40 g/mol
LogP3.98
Rot. Bonds4

About (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one

(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 1385398) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID1385398
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCOc1ccc(/C=C2\NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1
InChIInChI=1S/C19H15F3N2O3S/c1-26-14-7-6-11(16(10-14)27-2)8-15-17(25)24(18(28)23-15)13-5-3-4-12(9-13)19(20,21)22/h3-10H,1-2H3,(H,23,28)/b15-8-
InChIKeyUQIMUARVWMEAEC-NVNXTCNLSA-N
XLogP3.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 1385398) is (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is COc1ccc(/C=C2\NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1.
What is the InChIKey of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is UQIMUARVWMEAEC-NVNXTCNLSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-26-14-7-6-11(16(10-14)27-2)8-15-17(25)24(18(28)23-15)13-5-3-4-12(9-13)19(20,21)22/h3-10H,1-2H3,(H,23,28)/b15-8-.
What are the key properties of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 408.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 1385398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).