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

C32H34F3N3O2 — CID 142917391

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

5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one (PubChem CID 142917391) has the molecular formula C32H34F3N3O2 and a molecular weight of 549.64 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one.

Molecular Properties

• Compound Name: 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one
• PubChem CID: 142917391
• Molecular Formula: C32H34F3N3O2
• Molecular Weight: 549.64 g/mol
• Exact Mass: 549.26
• IUPAC Name: 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one
• SMILES: CC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2cccc(F)c2)CC1
• InChI: InChI=1S/C32H34F3N3O2/c1-21(2)30-36-32(24-6-10-26(33)11-7-24,25-8-12-27(34)13-9-25)31(40)38(30)20-29(39)19-37-16-14-22(15-17-37)23-4-3-5-28(35)18-23/h3-13,18,21-22,29,39H,14-17,19-20H2,1-2H3
• InChIKey: AWTXWQJXCPVGTF-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 56.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.64
LogP ≤ 5	5.48
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-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one?

The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one (CID 142917391) is 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one.

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

The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one is CC(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2cccc(F)c2)CC1.

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

The InChIKey is AWTXWQJXCPVGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N3O2/c1-21(2)30-36-32(24-6-10-26(33)11-7-24,25-8-12-27(34)13-9-25)31(40)38(30)20-29(39)19-37-16-14-22(15-17-37)23-4-3-5-28(35)18-23/h3-13,18,21-22,29,39H,14-17,19-20H2,1-2H3.

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

5,5-bis(4-fluorophenyl)-3-[3-[4-(3-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one has a molecular weight of 549.64 g/mol, XLogP of 5.48, 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-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-propan-2-ylimidazol-4-one is sourced from PubChem (CID 142917391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).