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

C30H30F3N3O2 — CID 142917280

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

5,5-bis(4-fluorophenyl)-3-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one (PubChem CID 142917280) has the molecular formula C30H30F3N3O2 and a molecular weight of 521.58 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one.

Molecular Properties

• Compound Name: 5,5-bis(4-fluorophenyl)-3-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one
• PubChem CID: 142917280
• Molecular Formula: C30H30F3N3O2
• Molecular Weight: 521.58 g/mol
• Exact Mass: 521.23
• IUPAC Name: 5,5-bis(4-fluorophenyl)-3-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one
• SMILES: CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2ccccc2F)CC1
• InChI: InChI=1S/C30H30F3N3O2/c1-20-34-30(22-6-10-24(31)11-7-22,23-8-12-25(32)13-9-23)29(38)36(20)19-26(37)18-35-16-14-21(15-17-35)27-4-2-3-5-28(27)33/h2-13,21,26,37H,14-19H2,1H3
• InChIKey: LTKREQSTSMHIJT-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 56.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.58
LogP ≤ 5	4.85
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-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one?

The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one (CID 142917280) is 5,5-bis(4-fluorophenyl)-3-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one.

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

The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC(O)CN1CCC(c2ccccc2F)CC1.

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

The InChIKey is LTKREQSTSMHIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N3O2/c1-20-34-30(22-6-10-24(31)11-7-22,23-8-12-25(32)13-9-23)29(38)36(20)19-26(37)18-35-16-14-21(15-17-35)27-4-2-3-5-28(27)33/h2-13,21,26,37H,14-19H2,1H3.

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

5,5-bis(4-fluorophenyl)-3-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one has a molecular weight of 521.58 g/mol, XLogP of 4.85, 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-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one is sourced from PubChem (CID 142917280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).