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

C32H34F5N3O2 — CID 142917312

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

5,5-bis(4-fluorophenyl)-3-[3-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1,2-dimethylimidazolidin-4-one (PubChem CID 142917312) has the molecular formula C32H34F5N3O2 and a molecular weight of 587.63 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[3-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1,2-dimethylimidazolidin-4-one.

Molecular Properties

• Compound Name: 5,5-bis(4-fluorophenyl)-3-[3-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1,2-dimethylimidazolidin-4-one
• PubChem CID: 142917312
• Molecular Formula: C32H34F5N3O2
• Molecular Weight: 587.63 g/mol
• Exact Mass: 587.26
• IUPAC Name: 5,5-bis(4-fluorophenyl)-3-[3-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1,2-dimethylimidazolidin-4-one
• SMILES: CC1N(CCCN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N1C
• InChI: InChI=1S/C32H34F5N3O2/c1-22-38(2)31(24-8-12-27(33)13-9-24,25-10-14-28(34)15-11-25)29(41)40(22)19-3-18-39-20-16-30(42,17-21-39)23-4-6-26(7-5-23)32(35,36)37/h4-15,22,42H,3,16-21H2,1-2H3
• InChIKey: ASQUTBKEJJKZKT-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 47.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.63
LogP ≤ 5	5.72
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-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1,2-dimethylimidazolidin-4-one?

The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1,2-dimethylimidazolidin-4-one (CID 142917312) is 5,5-bis(4-fluorophenyl)-3-[3-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1,2-dimethylimidazolidin-4-one.

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

The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[3-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1,2-dimethylimidazolidin-4-one is CC1N(CCCN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N1C.

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

The InChIKey is ASQUTBKEJJKZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F5N3O2/c1-22-38(2)31(24-8-12-27(33)13-9-24,25-10-14-28(34)15-11-25)29(41)40(22)19-3-18-39-20-16-30(42,17-21-39)23-4-6-26(7-5-23)32(35,36)37/h4-15,22,42H,3,16-21H2,1-2H3.

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

5,5-bis(4-fluorophenyl)-3-[3-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1,2-dimethylimidazolidin-4-one has a molecular weight of 587.63 g/mol, XLogP of 5.72, 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-[3-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-1,2-dimethylimidazolidin-4-one is sourced from PubChem (CID 142917312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).