(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one

C21H21N3O2Se — CID 11224062

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(N3CC[Se]CC3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H21N3O2Se/c1-26-18-9-7-16(8-10-18)15-19-20(25)24(17-5-3-2-4-6-17)21(22-19)23-11-13-27-14-12-23/h2-10,15H,11-14H2,1H3/b19-15-
InChIKeyWQIXDLOAAUJEHG-CYVLTUHYSA-N
MW426.38 g/mol
LogP3.30
Rot. Bonds3

About (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one

(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one (PubChem CID 11224062) has the molecular formula C21H21N3O2Se and a molecular weight of 426.38 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one
PubChem CID11224062
Molecular FormulaC21H21N3O2Se
Molecular Weight426.38 g/mol
Exact Mass427.08
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(N3CC[Se]CC3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H21N3O2Se/c1-26-18-9-7-16(8-10-18)15-19-20(25)24(17-5-3-2-4-6-17)21(22-19)23-11-13-27-14-12-23/h2-10,15H,11-14H2,1H3/b19-15-
InChIKeyWQIXDLOAAUJEHG-CYVLTUHYSA-N
XLogP3.30
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-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)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one
CID 11751543
(5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one
CID 682046
2-[(5E)-5-[(4-methoxyphenyl)methylidene]-6-oxo-3-phenylimidazo[1,2-b][1,2,4]triazol-2-yl]acetonitrile
CID 164576821
methyl 2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetate
CID 21230696
(5E)-5-[(4-methoxyphenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one;hydrobromide
CID 22693836
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
CID 155758728
CID 155758728
(5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one
CID 155758713
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
CID 1275115
(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
2-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 12005157

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one (CID 11224062) is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one is COc1ccc(/C=C2\N=C(N3CC[Se]CC3)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one?
The InChIKey is WQIXDLOAAUJEHG-CYVLTUHYSA-N. The full InChI is InChI=1S/C21H21N3O2Se/c1-26-18-9-7-16(8-10-18)15-19-20(25)24(17-5-3-2-4-6-17)21(22-19)23-11-13-27-14-12-23/h2-10,15H,11-14H2,1H3/b19-15-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one has a molecular weight of 426.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one is sourced from PubChem (CID 11224062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).