(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one

C16H12FN3O2 — CID 136895357

IUPAC(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
SMILESCOc1ccc(F)cc1/C=C1/N=C(c2ccncc2)NC1=O
InChIInChI=1S/C16H12FN3O2/c1-22-14-3-2-12(17)8-11(14)9-13-16(21)20-15(19-13)10-4-6-18-7-5-10/h2-9H,1H3,(H,19,20,21)/b13-9+
InChIKeyPWSALYFKSUVWQY-UKTHLTGXSA-N
MW297.29 g/mol
LogP2.15
Rot. Bonds3

About (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one

(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one (PubChem CID 136895357) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
PubChem CID136895357
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
SMILESCOc1ccc(F)cc1/C=C1/N=C(c2ccncc2)NC1=O
InChIInChI=1S/C16H12FN3O2/c1-22-14-3-2-12(17)8-11(14)9-13-16(21)20-15(19-13)10-4-6-18-7-5-10/h2-9H,1H3,(H,19,20,21)/b13-9+
InChIKeyPWSALYFKSUVWQY-UKTHLTGXSA-N
XLogP2.15
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-(3,4-dimethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895373
(4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894824
(4E)-2-(3,4-difluorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895400
(4E)-2-(2,6-dimethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895374
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895369
(4Z)-2-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894831
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895677
(4E)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895732
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895684
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895842
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one (CID 136895357) is (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one is COc1ccc(F)cc1/C=C1/N=C(c2ccncc2)NC1=O.
What is the InChIKey of (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one?
The InChIKey is PWSALYFKSUVWQY-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-22-14-3-2-12(17)8-11(14)9-13-16(21)20-15(19-13)10-4-6-18-7-5-10/h2-9H,1H3,(H,19,20,21)/b13-9+.
What are the key properties of (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one?
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one has a molecular weight of 297.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one is sourced from PubChem (CID 136895357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).