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

C23H19N3O3 — CID 1275583

IUPAC5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
SMILESCOc1ccc(NN2C(=O)C(=Cc3ccc(O)cc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3/c1-29-20-13-9-18(10-14-20)25-26-22(17-5-3-2-4-6-17)24-21(23(26)28)15-16-7-11-19(27)12-8-16/h2-15,25,27H,1H3
InChIKeyJQFJKOSPPLBKPO-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.06
Rot. Bonds5

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

5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one (PubChem CID 1275583) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
PubChem CID1275583
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
SMILESCOc1ccc(NN2C(=O)C(=Cc3ccc(O)cc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3/c1-29-20-13-9-18(10-14-20)25-26-22(17-5-3-2-4-6-17)24-21(23(26)28)15-16-7-11-19(27)12-8-16/h2-15,25,27H,1H3
InChIKeyJQFJKOSPPLBKPO-UHFFFAOYSA-N
XLogP4.06
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
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
(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-(4-methoxyanilino)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one
CID 5471598
(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one
CID 1034537
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
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
(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
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-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide
CID 10622588

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one?
The IUPAC name of 5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one (CID 1275583) is 5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one?
The canonical SMILES for 5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one is COc1ccc(NN2C(=O)C(=Cc3ccc(O)cc3)N=C2c2ccccc2)cc1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one?
The InChIKey is JQFJKOSPPLBKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-20-13-9-18(10-14-20)25-26-22(17-5-3-2-4-6-17)24-21(23(26)28)15-16-7-11-19(27)12-8-16/h2-15,25,27H,1H3.
What are the key properties of 5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one?
5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one has a molecular weight of 385.42 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one is sourced from PubChem (CID 1275583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).