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

C33H37F2N3O3 — CID 142917514

IUPAC5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
SMILESCOc1ccc(C2CCN(CC(O)CN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3C(C)C)CC2)cc1
InChIInChI=1S/C33H37F2N3O3/c1-22(2)31-36-33(25-6-10-27(34)11-7-25,26-8-12-28(35)13-9-26)32(40)38(31)21-29(39)20-37-18-16-24(17-19-37)23-4-14-30(41-3)15-5-23/h4-15,22,24,29,39H,16-21H2,1-3H3
InChIKeyYOAUWNAXKSIQFC-UHFFFAOYSA-N
MW561.67 g/mol
LogP5.35
Rot. Bonds9

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

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one (PubChem CID 142917514) has the molecular formula C33H37F2N3O3 and a molecular weight of 561.67 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
PubChem CID142917514
Molecular FormulaC33H37F2N3O3
Molecular Weight561.67 g/mol
Exact Mass561.28
IUPAC Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one
SMILESCOc1ccc(C2CCN(CC(O)CN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3C(C)C)CC2)cc1
InChIInChI=1S/C33H37F2N3O3/c1-22(2)31-36-33(25-6-10-27(34)11-7-25,26-8-12-28(35)13-9-26)32(40)38(31)21-29(39)20-37-18-16-24(17-19-37)23-4-14-30(41-3)15-5-23/h4-15,22,24,29,39H,16-21H2,1-3H3
InChIKeyYOAUWNAXKSIQFC-UHFFFAOYSA-N
XLogP5.35
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.67
LogP ≤ 55.35
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
3-[[1-[3-(1,3-Benzodioxol-5-yl)-2-methylpropyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10460423
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-[(4-oxo-6-propan-2-ylchromen-3-yl)methyl]piperidin-4-yl]methyl]imidazol-4-one
CID 11758004
2-Butyl-3-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methyl]-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 59138149
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-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917346
5,5-Bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one
CID 142917376
3-[[1-[3-(1,3-Benzodioxol-5-yl)-2-methylpropyl]piperidin-4-yl]methyl]-2-ethyl-5,5-bis(4-fluorophenyl)imidazol-4-one
CID 142917393
3-[3-[4-(1,3-Benzodioxol-5-yl)piperidin-1-yl]pentyl]-5,5-bis(4-fluorophenyl)-2-propylimidazol-4-one
CID 142917403
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
(5R)-3-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917465

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)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-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one (CID 142917514) is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one is COc1ccc(C2CCN(CC(O)CN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3C(C)C)CC2)cc1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one?
The InChIKey is YOAUWNAXKSIQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F2N3O3/c1-22(2)31-36-33(25-6-10-27(34)11-7-25,26-8-12-28(35)13-9-26)32(40)38(31)21-29(39)20-37-18-16-24(17-19-37)23-4-14-30(41-3)15-5-23/h4-15,22,24,29,39H,16-21H2,1-3H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one has a molecular weight of 561.67 g/mol, XLogP of 5.35, 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-methoxyphenyl)piperidin-1-yl]propyl]-2-propan-2-ylimidazol-4-one is sourced from PubChem (CID 142917514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).