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

C33H34F5N3O2 — CID 142917328

IUPAC5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
SMILESCC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C33H34F5N3O2/c1-21(2)30-39-32(24-7-11-27(34)12-8-24,25-9-13-28(35)14-10-25)31(43)41(30)20-29(42)19-40-17-15-23(16-18-40)22-3-5-26(6-4-22)33(36,37)38/h3-14,21,23,29,42H,15-20H2,1-2H3
InChIKeyYNYPXWCTTFFMLG-UHFFFAOYSA-N
MW599.64 g/mol
LogP6.36
Rot. Bonds8

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

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one (PubChem CID 142917328) has the molecular formula C33H34F5N3O2 and a molecular weight of 599.64 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
PubChem CID142917328
Molecular FormulaC33H34F5N3O2
Molecular Weight599.64 g/mol
Exact Mass599.26
IUPAC Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
SMILESCC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C33H34F5N3O2/c1-21(2)30-39-32(24-7-11-27(34)12-8-24,25-9-13-28(35)14-10-25)31(43)41(30)20-29(42)19-40-17-15-23(16-18-40)22-3-5-26(6-4-22)33(36,37)38/h3-14,21,23,29,42H,15-20H2,1-2H3
InChIKeyYNYPXWCTTFFMLG-UHFFFAOYSA-N
XLogP6.36
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.64
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10053788
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054334
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)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 10055217
1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 10077496
3-[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
CID 10257420
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one
CID 69909045
3-[2-Fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 91036518
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
5,5-Bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one
CID 142917213
3-[3-[4-(2,4-Difluorophenyl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917223

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-propan-2-ylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one (CID 142917328) is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-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-propan-2-ylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one is CC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one?
The InChIKey is YNYPXWCTTFFMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F5N3O2/c1-21(2)30-39-32(24-7-11-27(34)12-8-24,25-9-13-28(35)14-10-25)31(43)41(30)20-29(42)19-40-17-15-23(16-18-40)22-3-5-26(6-4-22)33(36,37)38/h3-14,21,23,29,42H,15-20H2,1-2H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one has a molecular weight of 599.64 g/mol, XLogP of 6.36, 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-propan-2-ylimidazol-4-one is sourced from PubChem (CID 142917328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).