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

C31H30F5N3O2 — CID 142917252

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

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one (PubChem CID 142917252) has the molecular formula C31H30F5N3O2 and a molecular weight of 571.59 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one.

Molecular Properties

• Compound Name: 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one
• PubChem CID: 142917252
• Molecular Formula: C31H30F5N3O2
• Molecular Weight: 571.59 g/mol
• Exact Mass: 571.23
• IUPAC Name: 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one
• SMILES: CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2cccc(C(F)(F)F)c2)CC1
• InChI: InChI=1S/C31H30F5N3O2/c1-20-37-30(23-5-9-26(32)10-6-23,24-7-11-27(33)12-8-24)29(41)39(20)19-28(40)18-38-15-13-21(14-16-38)22-3-2-4-25(17-22)31(34,35)36/h2-12,17,21,28,40H,13-16,18-19H2,1H3
• InChIKey: VSDIRLYGUFIARN-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 56.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.59
LogP ≤ 5	5.73
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-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one?

The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one (CID 142917252) is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one.

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

The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2cccc(C(F)(F)F)c2)CC1.

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

The InChIKey is VSDIRLYGUFIARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F5N3O2/c1-20-37-30(23-5-9-26(32)10-6-23,24-7-11-27(33)12-8-24)29(41)39(20)19-28(40)18-38-15-13-21(14-16-38)22-3-2-4-25(17-22)31(34,35)36/h2-12,17,21,28,40H,13-16,18-19H2,1H3.

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

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one has a molecular weight of 571.59 g/mol, XLogP of 5.73, 7 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-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one is sourced from PubChem (CID 142917252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).