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

C24H19N3O2 — CID 177408964

IUPAC(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
SMILESCOc1ccc(/C=C2/N=C(c3ccccc3)N(/N=C/c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H19N3O2/c1-29-21-14-12-18(13-15-21)16-22-24(28)27(25-17-19-8-4-2-5-9-19)23(26-22)20-10-6-3-7-11-20/h2-17H,1H3/b22-16+,25-17+
InChIKeyQORCVPMKSBAPIM-RWAPMGGUSA-N
MW381.44 g/mol
LogP4.36
Rot. Bonds5

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

(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one (PubChem CID 177408964) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is (5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
PubChem CID177408964
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
SMILESCOc1ccc(/C=C2/N=C(c3ccccc3)N(/N=C/c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H19N3O2/c1-29-21-14-12-18(13-15-21)16-22-24(28)27(25-17-19-8-4-2-5-9-19)23(26-22)20-10-6-3-7-11-20/h2-17H,1H3/b22-16+,25-17+
InChIKeyQORCVPMKSBAPIM-RWAPMGGUSA-N
XLogP4.36
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 20845059
(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965
[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] 4-methoxybenzenesulfonate
CID 6478456
(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
(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
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
CID 1275583
(2E,5E)-3-[(E)-benzylideneamino]-2-[(E)-benzylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 21234096
2-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137205917
5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 3079698
(3Z)-3-[4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-5-methoxy-1H-indol-2-one
CID 135884148

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one?
The IUPAC name of (5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one (CID 177408964) is (5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one.
What is the SMILES notation for (5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one?
The canonical SMILES for (5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one is COc1ccc(/C=C2/N=C(c3ccccc3)N(/N=C/c3ccccc3)C2=O)cc1.
What is the InChIKey of (5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one?
The InChIKey is QORCVPMKSBAPIM-RWAPMGGUSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-29-21-14-12-18(13-15-21)16-22-24(28)27(25-17-19-8-4-2-5-9-19)23(26-22)20-10-6-3-7-11-20/h2-17H,1H3/b22-16+,25-17+.
What are the key properties of (5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one?
(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one has a molecular weight of 381.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one is sourced from PubChem (CID 177408964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).