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

C30H31F2N3O2 — CID 142917373

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

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-methylimidazol-4-one (PubChem CID 142917373) has the molecular formula C30H31F2N3O2 and a molecular weight of 503.59 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-methylimidazol-4-one.

Molecular Properties

• Compound Name: 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-methylimidazol-4-one
• PubChem CID: 142917373
• Molecular Formula: C30H31F2N3O2
• Molecular Weight: 503.59 g/mol
• Exact Mass: 503.24
• IUPAC Name: 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-methylimidazol-4-one
• SMILES: CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2ccccc2)CC1
• InChI: InChI=1S/C30H31F2N3O2/c1-21-33-30(24-7-11-26(31)12-8-24,25-9-13-27(32)14-10-25)29(37)35(21)20-28(36)19-34-17-15-23(16-18-34)22-5-3-2-4-6-22/h2-14,23,28,36H,15-20H2,1H3
• InChIKey: LDNIQCOKQNGZRO-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 56.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.59
LogP ≤ 5	4.71
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-phenylpiperidin-1-yl)propyl]-2-methylimidazol-4-one?

The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-methylimidazol-4-one (CID 142917373) is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-methylimidazol-4-one.

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

The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-methylimidazol-4-one is CC1=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-methylimidazol-4-one?

The InChIKey is LDNIQCOKQNGZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N3O2/c1-21-33-30(24-7-11-26(31)12-8-24,25-9-13-27(32)14-10-25)29(37)35(21)20-28(36)19-34-17-15-23(16-18-34)22-5-3-2-4-6-22/h2-14,23,28,36H,15-20H2,1H3.

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

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]-2-methylimidazol-4-one has a molecular weight of 503.59 g/mol, XLogP of 4.71, 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-phenylpiperidin-1-yl)propyl]-2-methylimidazol-4-one is sourced from PubChem (CID 142917373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).