5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one

C32H35F2N3O2 — CID 142917346

About 5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one

5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one (PubChem CID 142917346) has the molecular formula C32H35F2N3O2 and a molecular weight of 531.65 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one.

Molecular Properties

• Compound Name: 5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one
• PubChem CID: 142917346
• Molecular Formula: C32H35F2N3O2
• Molecular Weight: 531.65 g/mol
• Exact Mass: 531.27
• IUPAC Name: 5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one
• SMILES: CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2cccc(C(C)O)c2)CC1
• InChI: InChI=1S/C32H35F2N3O2/c1-22(38)25-5-3-6-26(21-25)24-15-19-36(20-16-24)17-4-18-37-23(2)35-32(31(37)39,27-7-11-29(33)12-8-27)28-9-13-30(34)14-10-28/h3,5-14,21-22,24,38H,4,15-20H2,1-2H3
• InChIKey: GAMMXCSATBBZHD-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 56.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.65
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one?

The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one (CID 142917346) is 5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one.

What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one?

The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2cccc(C(C)O)c2)CC1.

What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one?

The InChIKey is GAMMXCSATBBZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N3O2/c1-22(38)25-5-3-6-26(21-25)24-15-19-36(20-16-24)17-4-18-37-23(2)35-32(31(37)39,27-7-11-29(33)12-8-27)28-9-13-30(34)14-10-28/h3,5-14,21-22,24,38H,4,15-20H2,1-2H3.

What are the key properties of 5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one?

5,5-bis(4-fluorophenyl)-3-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one has a molecular weight of 531.65 g/mol, XLogP of 5.79, 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-[3-[4-[3-(1-hydroxyethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one is sourced from PubChem (CID 142917346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).