6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one

C26H24F2N2O3 — CID 67944493

IUPAC6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one
SMILESC=C(C)c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC=CC1CC(O)CC(=O)O1
InChIInChI=1S/C26H24F2N2O3/c1-16(2)26-29-24(17-5-9-19(27)10-6-17)25(18-7-11-20(28)12-8-18)30(26)13-3-4-22-14-21(31)15-23(32)33-22/h3-12,21-22,31H,1,13-15H2,2H3
InChIKeyZZJUGPXQRXLWLN-UHFFFAOYSA-N
MW450.49 g/mol
LogP5.15
Rot. Bonds6

About 6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one

6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one (PubChem CID 67944493) has the molecular formula C26H24F2N2O3 and a molecular weight of 450.49 g/mol. Its IUPAC name is 6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one
PubChem CID67944493
Molecular FormulaC26H24F2N2O3
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one
SMILESC=C(C)c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC=CC1CC(O)CC(=O)O1
InChIInChI=1S/C26H24F2N2O3/c1-16(2)26-29-24(17-5-9-19(27)10-6-17)25(18-7-11-20(28)12-8-18)30(26)13-3-4-22-14-21(31)15-23(32)33-22/h3-12,21-22,31H,1,13-15H2,2H3
InChIKeyZZJUGPXQRXLWLN-UHFFFAOYSA-N
XLogP5.15
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one
CID 73348335
(4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
CID 70971267
6-[(E)-2-[5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]ethenyl]-4-hydroxyoxan-2-one
CID 14461255
(4R,6R)-6-[2-[2-cyclobutyl-4,5-bis(4-fluorophenyl)imidazol-1-yl]ethyl]-4-hydroxyoxan-2-one
CID 67944323
(4R,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-6-phenyl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
CID 57119414
(4R,6S)-6-[2-[6-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-propan-2-yl-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
CID 57016109
(4S,6R)-6-[(E)-2-[4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one
CID 18634942
N-[4-(4-fluorophenyl)-5-[2-(4-hydroxy-6-oxooxan-2-yl)ethenyl]-6-propan-2-ylpyrimidin-2-yl]methanesulfonamide
CID 78017556
(6S)-6-[(E)-2-[4-(4-fluorophenyl)-5-methyl-2,6-di(propan-2-yl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
CID 142205899
(4R,6S)-6-[(E)-2-[4-[3-(cyclohexylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
CID 22843814
(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-propan-2-ylquinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
CID 14229355
(4S,6R)-6-[(E)-2-[2,6-diethyl-4-(4-fluorophenyl)-3-pyridinyl]ethenyl]-4-hydroxyoxan-2-one
CID 14652751

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one?
The IUPAC name of 6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one (CID 67944493) is 6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for 6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one?
The canonical SMILES for 6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one is C=C(C)c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC=CC1CC(O)CC(=O)O1.
What is the InChIKey of 6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one?
The InChIKey is ZZJUGPXQRXLWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O3/c1-16(2)26-29-24(17-5-9-19(27)10-6-17)25(18-7-11-20(28)12-8-18)30(26)13-3-4-22-14-21(31)15-23(32)33-22/h3-12,21-22,31H,1,13-15H2,2H3.
What are the key properties of 6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one?
6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one has a molecular weight of 450.49 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4,5-bis(4-fluorophenyl)-2-prop-1-en-2-ylimidazol-1-yl]prop-1-enyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 67944493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).