(5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one

C24H20N2O2Se — CID 155758713

IUPAC(5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2[Se]c2ccc(C)cc2)cc1
InChIInChI=1S/C24H20N2O2Se/c1-17-8-14-21(15-9-17)29-24-25-22(16-18-6-4-3-5-7-18)23(27)26(24)19-10-12-20(28-2)13-11-19/h3-16H,1-2H3/b22-16-
InChIKeyKNLJEDYAEUVBLR-JWGURIENSA-N
MW447.40 g/mol
LogP3.78
Rot. Bonds5

About (5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one

(5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one (PubChem CID 155758713) has the molecular formula C24H20N2O2Se and a molecular weight of 447.40 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one
PubChem CID155758713
Molecular FormulaC24H20N2O2Se
Molecular Weight447.40 g/mol
Exact Mass448.07
IUPAC Name(5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2[Se]c2ccc(C)cc2)cc1
InChIInChI=1S/C24H20N2O2Se/c1-17-8-14-21(15-9-17)29-24-25-22(16-18-6-4-3-5-7-18)23(27)26(24)19-10-12-20(28-2)13-11-19/h3-16H,1-2H3/b22-16-
InChIKeyKNLJEDYAEUVBLR-JWGURIENSA-N
XLogP3.78
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.40
LogP ≤ 53.78
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one (CID 155758713) is (5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one is COc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2[Se]c2ccc(C)cc2)cc1.
What is the InChIKey of (5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one?
The InChIKey is KNLJEDYAEUVBLR-JWGURIENSA-N. The full InChI is InChI=1S/C24H20N2O2Se/c1-17-8-14-21(15-9-17)29-24-25-22(16-18-6-4-3-5-7-18)23(27)26(24)19-10-12-20(28-2)13-11-19/h3-16H,1-2H3/b22-16-.
What are the key properties of (5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one?
(5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one has a molecular weight of 447.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one is sourced from PubChem (CID 155758713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).