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

C33H34F5N3O3 — CID 142917624

IUPAC5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]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(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C33H34F5N3O3/c1-21(2)30-39-32(22-3-9-25(34)10-4-22,23-5-11-26(35)12-6-23)31(43)41(30)20-27(42)19-40-17-15-29(16-18-40)44-28-13-7-24(8-14-28)33(36,37)38/h3-14,21,27,29,42H,15-20H2,1-2H3
InChIKeyVZJUEVMYTBQRMK-UHFFFAOYSA-N
MW615.64 g/mol
LogP6.03
Rot. Bonds9

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

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one (PubChem CID 142917624) has the molecular formula C33H34F5N3O3 and a molecular weight of 615.64 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]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)phenoxy]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
PubChem CID142917624
Molecular FormulaC33H34F5N3O3
Molecular Weight615.64 g/mol
Exact Mass615.25
IUPAC Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]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(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C33H34F5N3O3/c1-21(2)30-39-32(22-3-9-25(34)10-4-22,23-5-11-26(35)12-6-23)31(43)41(30)20-27(42)19-40-17-15-29(16-18-40)44-28-13-7-24(8-14-28)33(36,37)38/h3-14,21,27,29,42H,15-20H2,1-2H3
InChIKeyVZJUEVMYTBQRMK-UHFFFAOYSA-N
XLogP6.03
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.64
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[(5-Fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10459749
5,5-Bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one
CID 142917376
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917412
3-[1-[(5-Fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
CID 142917424
3-[3-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917495
ethane;5-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917500
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
CID 142917514
2-ethyl-5,5-bis(4-fluorophenyl)-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
CID 142917615
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one
CID 142917629
5,5-Bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917636
5,5-Bis(4-fluorophenyl)-2-methyl-3-[3-[4-(4-methylphenoxy)piperidin-1-yl]propyl]imidazol-4-one
CID 142917662
5,5-bis(4-fluorophenyl)-3-(2-hydroxy-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-2-propan-2-ylimidazol-4-one
CID 142917679

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]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)phenoxy]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one (CID 142917624) is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]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)phenoxy]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)phenoxy]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(Oc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one?
The InChIKey is VZJUEVMYTBQRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F5N3O3/c1-21(2)30-39-32(22-3-9-25(34)10-4-22,23-5-11-26(35)12-6-23)31(43)41(30)20-27(42)19-40-17-15-29(16-18-40)44-28-13-7-24(8-14-28)33(36,37)38/h3-14,21,27,29,42H,15-20H2,1-2H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one has a molecular weight of 615.64 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one is sourced from PubChem (CID 142917624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).