3-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one

C34H33F8N3O2 — CID 142917254

About 3-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one

3-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one (PubChem CID 142917254) has the molecular formula C34H33F8N3O2 and a molecular weight of 667.64 g/mol. Its IUPAC name is 3-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one.

Molecular Properties

• Compound Name: 3-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one
• PubChem CID: 142917254
• Molecular Formula: C34H33F8N3O2
• Molecular Weight: 667.64 g/mol
• Exact Mass: 667.24
• IUPAC Name: 3-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one
• SMILES: CC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
• InChI: InChI=1S/C34H33F8N3O2/c1-20(2)30-43-32(23-3-7-27(35)8-4-23,24-5-9-28(36)10-6-24)31(47)45(30)19-29(46)18-44-13-11-21(12-14-44)22-15-25(33(37,38)39)17-26(16-22)34(40,41)42/h3-10,15-17,20-21,29,46H,11-14,18-19H2,1-2H3
• InChIKey: QXVZOLKJFFRZRW-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 56.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.64
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one?

The IUPAC name of 3-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one (CID 142917254) is 3-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one.

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

The canonical SMILES for 3-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one is CC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.

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

The InChIKey is QXVZOLKJFFRZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F8N3O2/c1-20(2)30-43-32(23-3-7-27(35)8-4-23,24-5-9-28(36)10-6-24)31(47)45(30)19-29(46)18-44-13-11-21(12-14-44)22-15-25(33(37,38)39)17-26(16-22)34(40,41)42/h3-10,15-17,20-21,29,46H,11-14,18-19H2,1-2H3.

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

3-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one has a molecular weight of 667.64 g/mol, XLogP of 7.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one is sourced from PubChem (CID 142917254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).