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

C26H17FN2O2S — CID 176914438

IUPAC(4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(-c3cccc(F)c3)s2)=N/C1=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H17FN2O2S/c27-19-8-5-7-18(16-19)23-12-13-24(32-23)25-28-22(26(30)29-25)15-17-6-4-11-21(14-17)31-20-9-2-1-3-10-20/h1-16H,(H,28,29,30)/b22-15-
InChIKeyZSCRQNWFJJKAAE-JCMHNJIXSA-N
MW440.50 g/mol
LogP6.26
Rot. Bonds5

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

(4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 176914438) has the molecular formula C26H17FN2O2S and a molecular weight of 440.50 g/mol. Its IUPAC name is (4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID176914438
Molecular FormulaC26H17FN2O2S
Molecular Weight440.50 g/mol
Exact Mass440.10
IUPAC Name(4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(-c3cccc(F)c3)s2)=N/C1=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H17FN2O2S/c27-19-8-5-7-18(16-19)23-12-13-24(32-23)25-28-22(26(30)29-25)15-17-6-4-11-21(14-17)31-20-9-2-1-3-10-20/h1-16H,(H,28,29,30)/b22-15-
InChIKeyZSCRQNWFJJKAAE-JCMHNJIXSA-N
XLogP6.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 56.26
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

(4Z)-2-[4-(3-fluorophenyl)phenyl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914429
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-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
CID 136894793
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895902
(4E)-4-[(3-fluorophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
CID 136894760
2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3106121
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893798
(5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137034519
5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91901882
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895369
(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-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one (CID 176914438) is (4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one is O=C1NC(c2ccc(-c3cccc(F)c3)s2)=N/C1=C\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is ZSCRQNWFJJKAAE-JCMHNJIXSA-N. The full InChI is InChI=1S/C26H17FN2O2S/c27-19-8-5-7-18(16-19)23-12-13-24(32-23)25-28-22(26(30)29-25)15-17-6-4-11-21(14-17)31-20-9-2-1-3-10-20/h1-16H,(H,28,29,30)/b22-15-.
What are the key properties of (4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 440.50 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[5-(3-fluorophenyl)thiophen-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 176914438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).