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

C26H17FN2O3 — CID 176914452

IUPAC(4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(-c3cccc(F)c3)o2)=N/C1=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H17FN2O3/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-
InChIKeyNQJQTORKFXWRTR-JCMHNJIXSA-N
MW424.43 g/mol
LogP5.80
Rot. Bonds5

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

(4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 176914452) has the molecular formula C26H17FN2O3 and a molecular weight of 424.43 g/mol. Its IUPAC name is (4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID176914452
Molecular FormulaC26H17FN2O3
Molecular Weight424.43 g/mol
Exact Mass424.12
IUPAC Name(4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(-c3cccc(F)c3)o2)=N/C1=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H17FN2O3/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-
InChIKeyNQJQTORKFXWRTR-JCMHNJIXSA-N
XLogP5.80
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.80
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one (CID 176914452) is (4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one is O=C1NC(c2ccc(-c3cccc(F)c3)o2)=N/C1=C\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is NQJQTORKFXWRTR-JCMHNJIXSA-N. The full InChI is InChI=1S/C26H17FN2O3/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)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 424.43 g/mol, XLogP of 5.80, 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)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 176914452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).