(5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one

C26H21N3O3 — CID 5471598

IUPAC(5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one
SMILESCOc1ccc(NN2C(=O)/C(=C/C(=O)/C=C/c3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C26H21N3O3/c1-32-23-16-13-21(14-17-23)28-29-25(20-10-6-3-7-11-20)27-24(26(29)31)18-22(30)15-12-19-8-4-2-5-9-19/h2-18,28H,1H3/b15-12+,24-18-
InChIKeyZDQSKUKTGDBHAC-ICJAMGLRSA-N
MW423.47 g/mol
LogP4.48
Rot. Bonds7

About (5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one

(5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one (PubChem CID 5471598) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is (5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one
PubChem CID5471598
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name(5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one
SMILESCOc1ccc(NN2C(=O)/C(=C/C(=O)/C=C/c3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C26H21N3O3/c1-32-23-16-13-21(14-17-23)28-29-25(20-10-6-3-7-11-20)27-24(26(29)31)18-22(30)15-12-19-8-4-2-5-9-19/h2-18,28H,1H3/b15-12+,24-18-
InChIKeyZDQSKUKTGDBHAC-ICJAMGLRSA-N
XLogP4.48
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.48
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

(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965
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
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
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
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656
(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 177408964
3-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1292001
1-[4-(4-methoxyphenyl)triazol-1-yl]-3-phenylprop-2-en-1-one
CID 176914126
3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid
CID 71336334

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one?
The IUPAC name of (5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one (CID 5471598) is (5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one.
What is the SMILES notation for (5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one?
The canonical SMILES for (5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one is COc1ccc(NN2C(=O)/C(=C/C(=O)/C=C/c3ccccc3)N=C2c2ccccc2)cc1.
What is the InChIKey of (5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one?
The InChIKey is ZDQSKUKTGDBHAC-ICJAMGLRSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-32-23-16-13-21(14-17-23)28-29-25(20-10-6-3-7-11-20)27-24(26(29)31)18-22(30)15-12-19-8-4-2-5-9-19/h2-18,28H,1H3/b15-12+,24-18-.
What are the key properties of (5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one?
(5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one has a molecular weight of 423.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one is sourced from PubChem (CID 5471598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).