(5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one

C23H17FN2O2 — CID 2270420

IUPAC(5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one
SMILESCOc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C23H17FN2O2/c1-28-19-13-11-16(12-14-19)22-25-21(15-17-7-5-6-10-20(17)24)23(27)26(22)18-8-3-2-4-9-18/h2-15H,1H3/b21-15+
InChIKeyPBHFFPYWIBHTOQ-RCCKNPSSSA-N
MW372.40 g/mol
LogP4.67
Rot. Bonds4

About (5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one

(5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one (PubChem CID 2270420) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is (5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one
PubChem CID2270420
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name(5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one
SMILESCOc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C23H17FN2O2/c1-28-19-13-11-16(12-14-19)22-25-21(15-17-7-5-6-10-20(17)24)23(27)26(22)18-8-3-2-4-9-18/h2-15H,1H3/b21-15+
InChIKeyPBHFFPYWIBHTOQ-RCCKNPSSSA-N
XLogP4.67
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one?
The IUPAC name of (5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one (CID 2270420) is (5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one.
What is the SMILES notation for (5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one?
The canonical SMILES for (5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one is COc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of (5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one?
The InChIKey is PBHFFPYWIBHTOQ-RCCKNPSSSA-N. The full InChI is InChI=1S/C23H17FN2O2/c1-28-19-13-11-16(12-14-19)22-25-21(15-17-7-5-6-10-20(17)24)23(27)26(22)18-8-3-2-4-9-18/h2-15H,1H3/b21-15+.
What are the key properties of (5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one?
(5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one has a molecular weight of 372.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-3-phenylimidazol-4-one is sourced from PubChem (CID 2270420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).