(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one

C24H19ClN2O2Se — CID 155758733

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2[Se]c2ccc(C)cc2)cc1
InChIInChI=1S/C24H19ClN2O2Se/c1-16-3-13-21(14-4-16)30-24-26-22(15-17-5-7-18(25)8-6-17)23(28)27(24)19-9-11-20(29-2)12-10-19/h3-15H,1-2H3/b22-15-
InChIKeyBSPNKHAHNHPALR-JCMHNJIXSA-N
MW481.84 g/mol
LogP4.43
Rot. Bonds5

About (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one

(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one (PubChem CID 155758733) has the molecular formula C24H19ClN2O2Se and a molecular weight of 481.84 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one
PubChem CID155758733
Molecular FormulaC24H19ClN2O2Se
Molecular Weight481.84 g/mol
Exact Mass482.03
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2[Se]c2ccc(C)cc2)cc1
InChIInChI=1S/C24H19ClN2O2Se/c1-16-3-13-21(14-4-16)30-24-26-22(15-17-5-7-18(25)8-6-17)23(28)27(24)19-9-11-20(29-2)12-10-19/h3-15H,1-2H3/b22-15-
InChIKeyBSPNKHAHNHPALR-JCMHNJIXSA-N
XLogP4.43
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.84
LogP ≤ 54.43
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-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one
CID 155758713
(5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003616
CID 155758728
CID 155758728
(5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one
CID 11751543
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)imidazol-4-one
CID 12034938
(5E)-5-[(4-methoxyphenyl)methylidene]-3-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)imidazol-4-one
CID 56690464
CID 155758715
CID 155758715
ethyl 4-[(4Z)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoate
CID 5298471
(2S,5E)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 40871906
(5E)-3-(4-methoxyphenyl)-2-(3-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one
CID 46497390
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
3-chloro-1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584236

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one (CID 155758733) is (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one is COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2[Se]c2ccc(C)cc2)cc1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one?
The InChIKey is BSPNKHAHNHPALR-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H19ClN2O2Se/c1-16-3-13-21(14-4-16)30-24-26-22(15-17-5-7-18(25)8-6-17)23(28)27(24)19-9-11-20(29-2)12-10-19/h3-15H,1-2H3/b22-15-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one has a molecular weight of 481.84 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one is sourced from PubChem (CID 155758733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).