5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one

C18H14F2N2OS — CID 72688892

IUPAC5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCCc1cccc(N2C(=O)C(=Cc3cccc(F)c3F)NC2=S)c1
InChIInChI=1S/C18H14F2N2OS/c1-2-11-5-3-7-13(9-11)22-17(23)15(21-18(22)24)10-12-6-4-8-14(19)16(12)20/h3-10H,2H2,1H3,(H,21,24)
InChIKeyRDICUZOSVGNIRS-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.79
Rot. Bonds3

About 5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one

5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 72688892) has the molecular formula C18H14F2N2OS and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID72688892
Molecular FormulaC18H14F2N2OS
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCCc1cccc(N2C(=O)C(=Cc3cccc(F)c3F)NC2=S)c1
InChIInChI=1S/C18H14F2N2OS/c1-2-11-5-3-7-13(9-11)22-17(23)15(21-18(22)24)10-12-6-4-8-14(19)16(12)20/h3-10H,2H2,1H3,(H,21,24)
InChIKeyRDICUZOSVGNIRS-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.79
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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Related Compounds

(5E)-5-[(3,4-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26492959
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26492856
(5E)-5-[(4-bromophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26492858
(5E)-3-(3-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 26492942
(5E)-3-(3-ethylphenyl)-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 26492936
methyl 5-[(E)-[1-(3-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-2-methylfuran-3-carboxylate
CID 27718625
(5E)-3-(3-ethylphenyl)-2-sulfanylidene-5-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]imidazolidin-4-one
CID 46534735
(5Z)-3-(3-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6435145
(5Z)-3-(4-methylphenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 6434616
3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4961995
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 60531301
(5E)-3-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 9342484

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 72688892) is 5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one is CCc1cccc(N2C(=O)C(=Cc3cccc(F)c3F)NC2=S)c1.
What is the InChIKey of 5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is RDICUZOSVGNIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2OS/c1-2-11-5-3-7-13(9-11)22-17(23)15(21-18(22)24)10-12-6-4-8-14(19)16(12)20/h3-10H,2H2,1H3,(H,21,24).
What are the key properties of 5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one?
5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 344.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)methylidene]-3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 72688892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).