(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one

C20H18N2O2 — CID 102212910

IUPAC(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one
SMILESCOc1ccc(/C=C2/N=C(/C=C/c3ccccc3)N(C)C2=O)cc1
InChIInChI=1S/C20H18N2O2/c1-22-19(13-10-15-6-4-3-5-7-15)21-18(20(22)23)14-16-8-11-17(24-2)12-9-16/h3-14H,1-2H3/b13-10+,18-14+
InChIKeyUMYXTVHNKGXLQE-BHTJOUODSA-N
MW318.38 g/mol
LogP3.62
Rot. Bonds4

About (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one

(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one (PubChem CID 102212910) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one
PubChem CID102212910
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one
SMILESCOc1ccc(/C=C2/N=C(/C=C/c3ccccc3)N(C)C2=O)cc1
InChIInChI=1S/C20H18N2O2/c1-22-19(13-10-15-6-4-3-5-7-15)21-18(20(22)23)14-16-8-11-17(24-2)12-9-16/h3-14H,1-2H3/b13-10+,18-14+
InChIKeyUMYXTVHNKGXLQE-BHTJOUODSA-N
XLogP3.62
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one
CID 13436397
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(Z)-3-methyl-2-methylsulfanylbut-1-enyl]imidazol-4-one
CID 146019838
(5E)-2-(furan-2-yl)-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one
CID 11254546
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one
CID 70809012
(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 177408964
(4E)-4-[(4-methoxyphenyl)methylidene]-2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one
CID 6952346
(5Z)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylimidazol-4-one
CID 168727613
4-[[4-(dimethylamino)phenyl]methylidene]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
CID 155277952
(5Z)-5-benzylidene-3-(4-methoxyphenyl)-2-(4-methylphenyl)selanylimidazol-4-one
CID 155758713
(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965
4-[(4-chlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
CID 4202958
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one
CID 11224062

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one?
The IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one (CID 102212910) is (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one.
What is the SMILES notation for (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one?
The canonical SMILES for (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one is COc1ccc(/C=C2/N=C(/C=C/c3ccccc3)N(C)C2=O)cc1.
What is the InChIKey of (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one?
The InChIKey is UMYXTVHNKGXLQE-BHTJOUODSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-22-19(13-10-15-6-4-3-5-7-15)21-18(20(22)23)14-16-8-11-17(24-2)12-9-16/h3-14H,1-2H3/b13-10+,18-14+.
What are the key properties of (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one?
(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one has a molecular weight of 318.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one is sourced from PubChem (CID 102212910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).