(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one

C24H21N3O3 — CID 1273965

IUPAC(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
SMILESCOc1ccc(/C=C2/N=C(c3ccccc3)N(Nc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C24H21N3O3/c1-29-20-12-8-17(9-13-20)16-22-24(28)27(23(25-22)18-6-4-3-5-7-18)26-19-10-14-21(30-2)15-11-19/h3-16,26H,1-2H3/b22-16+
InChIKeySAYLALDWVTZFBR-CJLVFECKSA-N
MW399.45 g/mol
LogP4.36
Rot. Bonds6

About (5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one

(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one (PubChem CID 1273965) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is (5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
PubChem CID1273965
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
SMILESCOc1ccc(/C=C2/N=C(c3ccccc3)N(Nc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C24H21N3O3/c1-29-20-12-8-17(9-13-20)16-22-24(28)27(23(25-22)18-6-4-3-5-7-18)26-19-10-14-21(30-2)15-11-19/h3-16,26H,1-2H3/b22-16+
InChIKeySAYLALDWVTZFBR-CJLVFECKSA-N
XLogP4.36
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
CID 1275583
(5E)-5-[(4-methoxyphenyl)methylidene]-3-[[4-[[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]phthalazin-1-yl]amino]-2-phenylimidazol-4-one
CID 99668741
(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one
CID 1034537
(5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one
CID 5471598
(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 177408964
(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1275103
3-[[4,6-bis(2-hydroxy-4-nitroanilino)-1,3,5-triazin-2-yl]amino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 11980224
N,3-dihydroxy-4-[[4-[2-hydroxy-4-[hydroxy(oxido)azaniumyl]anilino]-6-[[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-1,3,5-triazin-2-yl]amino]benzeneamine oxide
CID 163161575
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
CID 1275115
[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate
CID 6478456
2-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137205917
(5Z)-2-anilino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazol-4-one
CID 13436397

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one?
The IUPAC name of (5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one (CID 1273965) is (5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one.
What is the SMILES notation for (5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one?
The canonical SMILES for (5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one is COc1ccc(/C=C2/N=C(c3ccccc3)N(Nc3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of (5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one?
The InChIKey is SAYLALDWVTZFBR-CJLVFECKSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-20-12-8-17(9-13-20)16-22-24(28)27(23(25-22)18-6-4-3-5-7-18)26-19-10-14-21(30-2)15-11-19/h3-16,26H,1-2H3/b22-16+.
What are the key properties of (5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one?
(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one has a molecular weight of 399.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one is sourced from PubChem (CID 1273965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).