(4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one

C28H19FN2O2 — CID 176914429

IUPAC(4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(-c3cccc(F)c3)cc2)=N/C1=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C28H19FN2O2/c29-23-8-5-7-22(18-23)20-12-14-21(15-13-20)27-30-26(28(32)31-27)17-19-6-4-11-25(16-19)33-24-9-2-1-3-10-24/h1-18H,(H,30,31,32)/b26-17-
InChIKeyAIQYBMDNWFLGGM-ONUIUJJFSA-N
MW434.47 g/mol
LogP6.20
Rot. Bonds5

About (4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one

(4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 176914429) has the molecular formula C28H19FN2O2 and a molecular weight of 434.47 g/mol. Its IUPAC name is (4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID176914429
Molecular FormulaC28H19FN2O2
Molecular Weight434.47 g/mol
Exact Mass434.14
IUPAC Name(4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(-c3cccc(F)c3)cc2)=N/C1=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C28H19FN2O2/c29-23-8-5-7-22(18-23)20-12-14-21(15-13-20)27-30-26(28(32)31-27)17-19-6-4-11-25(16-19)33-24-9-2-1-3-10-24/h1-18H,(H,30,31,32)/b26-17-
InChIKeyAIQYBMDNWFLGGM-ONUIUJJFSA-N
XLogP6.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914438
2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914434
(4E)-4-[(3-bromophenyl)methylidene]-2-(3-fluorophenyl)-1H-imidazol-5-one
CID 136894615
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895902
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895149
(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893629
(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517616
1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene
CID 160906545
(4E)-4-[(3-bromophenyl)methylidene]-2-(3,4-difluorophenyl)-1H-imidazol-5-one
CID 136894651
(4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
CID 136894793
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895684
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894308

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one (CID 176914429) is (4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one is O=C1NC(c2ccc(-c3cccc(F)c3)cc2)=N/C1=C\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is AIQYBMDNWFLGGM-ONUIUJJFSA-N. The full InChI is InChI=1S/C28H19FN2O2/c29-23-8-5-7-22(18-23)20-12-14-21(15-13-20)27-30-26(28(32)31-27)17-19-6-4-11-25(16-19)33-24-9-2-1-3-10-24/h1-18H,(H,30,31,32)/b26-17-.
What are the key properties of (4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 434.47 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 176914429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).