5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one

C35H32F3N3O2 — CID 142917561

IUPAC5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one
SMILESO=C1N(CC(O)CN2CCC(c3cccc(F)c3)CC2)C(c2ccccc2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C35H32F3N3O2/c36-29-13-9-27(10-14-29)35(28-11-15-30(37)16-12-28)34(43)41(33(39-35)25-5-2-1-3-6-25)23-32(42)22-40-19-17-24(18-20-40)26-7-4-8-31(38)21-26/h1-16,21,24,32,42H,17-20,22-23H2
InChIKeyYTJYQDDTHJCVTK-UHFFFAOYSA-N
MW583.65 g/mol
LogP5.88
Rot. Bonds8

About 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one

5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one (PubChem CID 142917561) has the molecular formula C35H32F3N3O2 and a molecular weight of 583.65 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one
PubChem CID142917561
Molecular FormulaC35H32F3N3O2
Molecular Weight583.65 g/mol
Exact Mass583.24
IUPAC Name5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one
SMILESO=C1N(CC(O)CN2CCC(c3cccc(F)c3)CC2)C(c2ccccc2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C35H32F3N3O2/c36-29-13-9-27(10-14-29)35(28-11-15-30(37)16-12-28)34(43)41(33(39-35)25-5-2-1-3-6-25)23-32(42)22-40-19-17-24(18-20-40)26-7-4-8-31(38)21-26/h1-16,21,24,32,42H,17-20,22-23H2
InChIKeyYTJYQDDTHJCVTK-UHFFFAOYSA-N
XLogP5.88
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.65
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054547
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one
CID 69909045
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one
CID 91109180
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-(4-Fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
CID 142917227
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one
CID 142917231
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylimidazol-4-one
CID 142917241
3-[3-(4-Benzylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917248
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
3-[3-[4-(4-Chlorophenyl)piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one
CID 142917267

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one (CID 142917561) is 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one is O=C1N(CC(O)CN2CCC(c3cccc(F)c3)CC2)C(c2ccccc2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one?
The InChIKey is YTJYQDDTHJCVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F3N3O2/c36-29-13-9-27(10-14-29)35(28-11-15-30(37)16-12-28)34(43)41(33(39-35)25-5-2-1-3-6-25)23-32(42)22-40-19-17-24(18-20-40)26-7-4-8-31(38)21-26/h1-16,21,24,32,42H,17-20,22-23H2.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one has a molecular weight of 583.65 g/mol, XLogP of 5.88, 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-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-phenylimidazol-4-one is sourced from PubChem (CID 142917561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).