5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one

C36H32F5N3O2 — CID 142917356

IUPAC5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one
SMILESO=C1N(CC(O)CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)C(c2ccccc2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C36H32F5N3O2/c37-30-14-10-27(11-15-30)35(28-12-16-31(38)17-13-28)34(46)44(33(42-35)26-4-2-1-3-5-26)23-32(45)22-43-20-18-25(19-21-43)24-6-8-29(9-7-24)36(39,40)41/h1-17,25,32,45H,18-23H2
InChIKeyJXWUJINIUUQPNS-UHFFFAOYSA-N
MW633.66 g/mol
LogP6.76
Rot. Bonds8

About 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one (PubChem CID 142917356) has the molecular formula C36H32F5N3O2 and a molecular weight of 633.66 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one
PubChem CID142917356
Molecular FormulaC36H32F5N3O2
Molecular Weight633.66 g/mol
Exact Mass633.24
IUPAC Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one
SMILESO=C1N(CC(O)CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)C(c2ccccc2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C36H32F5N3O2/c37-30-14-10-27(11-15-30)35(28-12-16-31(38)17-13-28)34(46)44(33(42-35)26-4-2-1-3-5-26)23-32(45)22-43-20-18-25(19-21-43)24-6-8-29(9-7-24)36(39,40)41/h1-17,25,32,45H,18-23H2
InChIKeyJXWUJINIUUQPNS-UHFFFAOYSA-N
XLogP6.76
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.66
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 10055217
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one
CID 69909045
3-[2-Hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142917212
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one
CID 142917241
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917252
3-[3-[4-[3,5-Bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one
CID 142917254
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one
CID 142917256
5,5-Bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917262
3-[3-[4-(4-Chlorophenyl)piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one
CID 142917267
5,5-Bis(4-fluorophenyl)-2-[(2-methoxyethylamino)methyl]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917269
5,5-Bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917278
5,5-Bis(4-fluorophenyl)-3-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one
CID 142917280

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one (CID 142917356) is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one is O=C1N(CC(O)CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)C(c2ccccc2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one?
The InChIKey is JXWUJINIUUQPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F5N3O2/c37-30-14-10-27(11-15-30)35(28-12-16-31(38)17-13-28)34(46)44(33(42-35)26-4-2-1-3-5-26)23-32(45)22-43-20-18-25(19-21-43)24-6-8-29(9-7-24)36(39,40)41/h1-17,25,32,45H,18-23H2.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one has a molecular weight of 633.66 g/mol, XLogP of 6.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one is sourced from PubChem (CID 142917356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).