(5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one

C23H19N3O2 — CID 70685531

IUPAC(5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
SMILESCOc1ccc(/C=C2/N=C(c3ccccc3)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C23H19N3O2/c1-28-20-9-7-17(8-10-20)15-21-23(27)26(16-18-11-13-24-14-12-18)22(25-21)19-5-3-2-4-6-19/h2-15H,16H2,1H3/b21-15+
InChIKeyOGUUQYHDNMZDKQ-RCCKNPSSSA-N
MW369.42 g/mol
LogP3.92
Rot. Bonds5

About (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one

(5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one (PubChem CID 70685531) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
PubChem CID70685531
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name(5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
SMILESCOc1ccc(/C=C2/N=C(c3ccccc3)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C23H19N3O2/c1-28-20-9-7-17(8-10-20)15-21-23(27)26(16-18-11-13-24-14-12-18)22(25-21)19-5-3-2-4-6-19/h2-15H,16H2,1H3/b21-15+
InChIKeyOGUUQYHDNMZDKQ-RCCKNPSSSA-N
XLogP3.92
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.92
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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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one?
The IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one (CID 70685531) is (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one.
What is the SMILES notation for (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one?
The canonical SMILES for (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one is COc1ccc(/C=C2/N=C(c3ccccc3)N(Cc3ccncc3)C2=O)cc1.
What is the InChIKey of (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one?
The InChIKey is OGUUQYHDNMZDKQ-RCCKNPSSSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-20-9-7-17(8-10-20)15-21-23(27)26(16-18-11-13-24-14-12-18)22(25-21)19-5-3-2-4-6-19/h2-15H,16H2,1H3/b21-15+.
What are the key properties of (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one?
(5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one has a molecular weight of 369.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one is sourced from PubChem (CID 70685531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).