(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one

C26H21F3N2O2Se — CID 155758741

IUPAC(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one
SMILESCCOc1ccc(/C=C2\N=C([Se]c3ccc(C)cc3)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C26H21F3N2O2Se/c1-3-33-21-12-6-18(7-13-21)16-23-24(32)31(20-10-8-19(9-11-20)26(27,28)29)25(30-23)34-22-14-4-17(2)5-15-22/h4-16H,3H2,1-2H3/b23-16-
InChIKeyLSJFNZHGUGJNLB-KQWNVCNZSA-N
MW529.42 g/mol
LogP5.19
Rot. Bonds6

About (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one

(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one (PubChem CID 155758741) has the molecular formula C26H21F3N2O2Se and a molecular weight of 529.42 g/mol. Its IUPAC name is (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one
PubChem CID155758741
Molecular FormulaC26H21F3N2O2Se
Molecular Weight529.42 g/mol
Exact Mass530.07
IUPAC Name(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one
SMILESCCOc1ccc(/C=C2\N=C([Se]c3ccc(C)cc3)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C26H21F3N2O2Se/c1-3-33-21-12-6-18(7-13-21)16-23-24(32)31(20-10-8-19(9-11-20)26(27,28)29)25(30-23)34-22-14-4-17(2)5-15-22/h4-16H,3H2,1-2H3/b23-16-
InChIKeyLSJFNZHGUGJNLB-KQWNVCNZSA-N
XLogP5.19
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one with MolForge

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Related Compounds

(5Z)-5-benzylidene-3-(4-ethoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 16188817
2-(diethylamino)-5-(4-methoxybenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one
CID 8185635
(3E)-1-(4-fluorophenyl)-3-(4-methoxybenzylidene)-5-phenyl-1,3-dihydro-2H-pyrrol-2-one
CID 1903453
(5Z)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 164612255
5-[(4-Methoxyphenyl)methylene]-3-phenyl-2-(phenylazamethylene)-1,3-thiazolidin-4-one
CID 1560309
(2Z,5Z)-5-(4-methoxybenzylidene)-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 1592216
(4Z)-4-{[4-(Dimethylamino)phenyl]methylidene}-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-4,5-dihydro-1H-imidazol-5-one
CID 6525622
6-(4-Ethoxyphenyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydropyrimidin-4-one
CID 25885204
6-(4-ethoxyphenyl)-3-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)pyrimidin-4(3H)-one
CID 25885205
2-(4-(4-ethoxyphenyl)-6-oxopyrimidin-1(6H)-yl)-N-(2-fluorophenyl)acetamide
CID 25885223
2-[4-(4-ethoxyphenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 25885283
(4Z)-1-(3-Fluorophenyl)-4-[(4-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dihydro-1H-imidazol-5-one
CID 46497121

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one?
The IUPAC name of (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one (CID 155758741) is (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one is CCOc1ccc(/C=C2\N=C([Se]c3ccc(C)cc3)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one?
The InChIKey is LSJFNZHGUGJNLB-KQWNVCNZSA-N. The full InChI is InChI=1S/C26H21F3N2O2Se/c1-3-33-21-12-6-18(7-13-21)16-23-24(32)31(20-10-8-19(9-11-20)26(27,28)29)25(30-23)34-22-14-4-17(2)5-15-22/h4-16H,3H2,1-2H3/b23-16-.
What are the key properties of (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one?
(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one has a molecular weight of 529.42 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)selanyl-3-[4-(trifluoromethyl)phenyl]imidazol-4-one is sourced from PubChem (CID 155758741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).