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

C32H35F2N3O2 — CID 142917425

IUPAC5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
SMILESCC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C32H35F2N3O2/c1-22(2)30-35-32(25-8-12-27(33)13-9-25,26-10-14-28(34)15-11-26)31(39)37(30)21-29(38)20-36-18-16-24(17-19-36)23-6-4-3-5-7-23/h3-15,22,24,29,38H,16-21H2,1-2H3
InChIKeyCAEDJTNVHODPOS-UHFFFAOYSA-N
MW531.65 g/mol
LogP5.35
Rot. Bonds8

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

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one (PubChem CID 142917425) has the molecular formula C32H35F2N3O2 and a molecular weight of 531.65 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
PubChem CID142917425
Molecular FormulaC32H35F2N3O2
Molecular Weight531.65 g/mol
Exact Mass531.27
IUPAC Name5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
SMILESCC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C32H35F2N3O2/c1-22(2)30-35-32(25-8-12-27(33)13-9-25,26-10-14-28(34)15-11-26)31(39)37(30)21-29(38)20-36-18-16-24(17-19-36)23-6-4-3-5-7-23/h3-15,22,24,29,38H,16-21H2,1-2H3
InChIKeyCAEDJTNVHODPOS-UHFFFAOYSA-N
XLogP5.35
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.65
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)azetidin-3-yl]methyl]imidazol-4-one
CID 9985540
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)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 10054089
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
3-[(1-Benzylpyrrolidin-3-yl)methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10072908
Tert-butyl 4-[[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 10074015
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
1-[3-[4,4-Bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidine-4-carboxylic acid
CID 69938401
Ethyl 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidine-4-carboxylate
CID 69938515

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one (CID 142917425) is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-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-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-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(c2ccccc2)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one?
The InChIKey is CAEDJTNVHODPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N3O2/c1-22(2)30-35-32(25-8-12-27(33)13-9-25,26-10-14-28(34)15-11-26)31(39)37(30)21-29(38)20-36-18-16-24(17-19-36)23-6-4-3-5-7-23/h3-15,22,24,29,38H,16-21H2,1-2H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one has a molecular weight of 531.65 g/mol, XLogP of 5.35, 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-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one is sourced from PubChem (CID 142917425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).