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

C36H35F2N3O3 — CID 142917629

IUPAC5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one
SMILESCOc1ccc(C2CCN(CC(O)CN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3c3ccccc3)CC2)cc1
InChIInChI=1S/C36H35F2N3O3/c1-44-33-17-7-25(8-18-33)26-19-21-40(22-20-26)23-32(42)24-41-34(27-5-3-2-4-6-27)39-36(35(41)43,28-9-13-30(37)14-10-28)29-11-15-31(38)16-12-29/h2-18,26,32,42H,19-24H2,1H3
InChIKeyIEZMHXLATPBFJI-UHFFFAOYSA-N
MW595.69 g/mol
LogP5.75
Rot. Bonds9

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

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one (PubChem CID 142917629) has the molecular formula C36H35F2N3O3 and a molecular weight of 595.69 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one
PubChem CID142917629
Molecular FormulaC36H35F2N3O3
Molecular Weight595.69 g/mol
Exact Mass595.26
IUPAC Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one
SMILESCOc1ccc(C2CCN(CC(O)CN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3c3ccccc3)CC2)cc1
InChIInChI=1S/C36H35F2N3O3/c1-44-33-17-7-25(8-18-33)26-19-21-40(22-20-26)23-32(42)24-41-34(27-5-3-2-4-6-27)39-36(35(41)43,28-9-13-30(37)14-10-28)29-11-15-31(38)16-12-29/h2-18,26,32,42H,19-24H2,1H3
InChIKeyIEZMHXLATPBFJI-UHFFFAOYSA-N
XLogP5.75
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.69
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
CID 142917274
5,5-Bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one
CID 142917376
5,5-Bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917400
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917412
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
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
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-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917758

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-phenylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one (CID 142917629) is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)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-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one is COc1ccc(C2CCN(CC(O)CN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3c3ccccc3)CC2)cc1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one?
The InChIKey is IEZMHXLATPBFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F2N3O3/c1-44-33-17-7-25(8-18-33)26-19-21-40(22-20-26)23-32(42)24-41-34(27-5-3-2-4-6-27)39-36(35(41)43,28-9-13-30(37)14-10-28)29-11-15-31(38)16-12-29/h2-18,26,32,42H,19-24H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one has a molecular weight of 595.69 g/mol, XLogP of 5.75, 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-phenylimidazol-4-one is sourced from PubChem (CID 142917629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).