(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one

C22H24N2O3 — CID 1392036

IUPAC(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one
SMILESCCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(C)C2=O)cc1OCC
InChIInChI=1S/C22H24N2O3/c1-5-26-19-12-9-16(14-20(19)27-6-2)13-18-22(25)24(4)21(23-18)17-10-7-15(3)8-11-17/h7-14H,5-6H2,1-4H3/b18-13+
InChIKeyXCFQGDCJMSMACJ-QGOAFFKASA-N
MW364.45 g/mol
LogP4.05
Rot. Bonds6

About (5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one

(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one (PubChem CID 1392036) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one
PubChem CID1392036
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one
SMILESCCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(C)C2=O)cc1OCC
InChIInChI=1S/C22H24N2O3/c1-5-26-19-12-9-16(14-20(19)27-6-2)13-18-22(25)24(4)21(23-18)17-10-7-15(3)8-11-17/h7-14H,5-6H2,1-4H3/b18-13+
InChIKeyXCFQGDCJMSMACJ-QGOAFFKASA-N
XLogP4.05
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(2-methylphenyl)imidazol-4-one
CID 91989029
3-benzyl-5-[(3,4-diethoxyphenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one
CID 5160309
methyl 4-[4-[(3,4-diethoxyphenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]benzoate
CID 3764375
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-2-(2-methylphenyl)-3-(4-methylphenyl)imidazol-4-one
CID 2067551
5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one
CID 3709387
2-[2-(4-chlorophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]ethyl acetate
CID 4015764
5-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4024334
(5Z)-2-(4-butoxyphenyl)-3-[2-[(4E)-2-(4-butoxyphenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]ethyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one
CID 6532750
(5E)-3-(4-bromophenyl)-5-[(3,4-diethoxyphenyl)methylidene]-2-(2-methylphenyl)imidazol-4-one
CID 2066854
(4Z)-4-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 19662112
(5Z)-5-[(3,4-diethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 126054213
[2-ethoxy-4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 46501010

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one?
The IUPAC name of (5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one (CID 1392036) is (5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one.
What is the SMILES notation for (5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one?
The canonical SMILES for (5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one is CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(C)C2=O)cc1OCC.
What is the InChIKey of (5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one?
The InChIKey is XCFQGDCJMSMACJ-QGOAFFKASA-N. The full InChI is InChI=1S/C22H24N2O3/c1-5-26-19-12-9-16(14-20(19)27-6-2)13-18-22(25)24(4)21(23-18)17-10-7-15(3)8-11-17/h7-14H,5-6H2,1-4H3/b18-13+.
What are the key properties of (5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one?
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one has a molecular weight of 364.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one is sourced from PubChem (CID 1392036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).