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

C21H20ClN3O2Se — CID 11751543

IUPAC(5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(N3CC[Se]CC3)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C21H20ClN3O2Se/c1-27-18-8-2-15(3-9-18)14-19-20(26)25(17-6-4-16(22)5-7-17)21(23-19)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3/b19-14-
InChIKeyKBWLJUIJVKKQKU-RGEXLXHISA-N
MW460.82 g/mol
LogP3.95
Rot. Bonds3

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

(5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one (PubChem CID 11751543) has the molecular formula C21H20ClN3O2Se and a molecular weight of 460.82 g/mol. Its IUPAC name is (5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one
PubChem CID11751543
Molecular FormulaC21H20ClN3O2Se
Molecular Weight460.82 g/mol
Exact Mass461.04
IUPAC Name(5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(N3CC[Se]CC3)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C21H20ClN3O2Se/c1-27-18-8-2-15(3-9-18)14-19-20(26)25(17-6-4-16(22)5-7-17)21(23-19)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3/b19-14-
InChIKeyKBWLJUIJVKKQKU-RGEXLXHISA-N
XLogP3.95
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.82
LogP ≤ 53.95
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'}

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Related Compounds

(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one
CID 11224062
(5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003616
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one
CID 155758733
CID 155758728
CID 155758728
(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
(5Z)-5-[(4-chlorophenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7341071
CID 155758715
CID 155758715
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
(5E)-5-benzylidene-2-morpholin-4-yl-3-phenylimidazol-4-one
CID 682046
(5E)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003167
2-[(5E)-5-[(4-methoxyphenyl)methylidene]-6-oxo-3-phenylimidazo[1,2-b][1,2,4]triazol-2-yl]acetonitrile
CID 164576821

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one?
The IUPAC name of (5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one (CID 11751543) is (5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one.
What is the SMILES notation for (5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one?
The canonical SMILES for (5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one is COc1ccc(/C=C2\N=C(N3CC[Se]CC3)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of (5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one?
The InChIKey is KBWLJUIJVKKQKU-RGEXLXHISA-N. The full InChI is InChI=1S/C21H20ClN3O2Se/c1-27-18-8-2-15(3-9-18)14-19-20(26)25(17-6-4-16(22)5-7-17)21(23-19)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3/b19-14-.
What are the key properties of (5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one?
(5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one has a molecular weight of 460.82 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one is sourced from PubChem (CID 11751543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).