(5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one

C24H17FN2O2 — CID 2053595

IUPAC(5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one
SMILESCC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3F)N=C2c2ccccc2)cc1
InChIInChI=1S/C24H17FN2O2/c1-16(28)17-11-13-20(14-12-17)27-23(18-7-3-2-4-8-18)26-22(24(27)29)15-19-9-5-6-10-21(19)25/h2-15H,1H3/b22-15-
InChIKeyILTTZJNKKHNGAZ-JCMHNJIXSA-N
MW384.41 g/mol
LogP4.86
Rot. Bonds4

About (5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one

(5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one (PubChem CID 2053595) has the molecular formula C24H17FN2O2 and a molecular weight of 384.41 g/mol. Its IUPAC name is (5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one
PubChem CID2053595
Molecular FormulaC24H17FN2O2
Molecular Weight384.41 g/mol
Exact Mass384.13
IUPAC Name(5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one
SMILESCC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3F)N=C2c2ccccc2)cc1
InChIInChI=1S/C24H17FN2O2/c1-16(28)17-11-13-20(14-12-17)27-23(18-7-3-2-4-8-18)26-22(24(27)29)15-19-9-5-6-10-21(19)25/h2-15H,1H3/b22-15-
InChIKeyILTTZJNKKHNGAZ-JCMHNJIXSA-N
XLogP4.86
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.86
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 (5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one?
The IUPAC name of (5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one (CID 2053595) is (5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one.
What is the SMILES notation for (5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one?
The canonical SMILES for (5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one is CC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3F)N=C2c2ccccc2)cc1.
What is the InChIKey of (5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one?
The InChIKey is ILTTZJNKKHNGAZ-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H17FN2O2/c1-16(28)17-11-13-20(14-12-17)27-23(18-7-3-2-4-8-18)26-22(24(27)29)15-19-9-5-6-10-21(19)25/h2-15H,1H3/b22-15-.
What are the key properties of (5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one?
(5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one has a molecular weight of 384.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-acetylphenyl)-5-[(2-fluorophenyl)methylidene]-2-phenylimidazol-4-one is sourced from PubChem (CID 2053595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).