3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one

C35H33F3N4O — CID 142917696

About 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one

3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one (PubChem CID 142917696) has the molecular formula C35H33F3N4O and a molecular weight of 582.67 g/mol. Its IUPAC name is 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one.

Molecular Properties

• Compound Name: 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one
• PubChem CID: 142917696
• Molecular Formula: C35H33F3N4O
• Molecular Weight: 582.67 g/mol
• Exact Mass: 582.26
• IUPAC Name: 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one
• SMILES: Cc1cc(F)ccc1C1CCN(CCCN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2c2ccccn2)CC1
• InChI: InChI=1S/C35H33F3N4O/c1-24-23-30(38)14-15-31(24)25-16-21-41(22-17-25)19-4-20-42-33(32-5-2-3-18-39-32)40-35(34(42)43,26-6-10-28(36)11-7-26)27-8-12-29(37)13-9-27/h2-3,5-15,18,23,25H,4,16-17,19-22H2,1H3
• InChIKey: NSHMMEJDAQHOGG-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 48.80 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.67
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one?

The IUPAC name of 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one (CID 142917696) is 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one.

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

The canonical SMILES for 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one is Cc1cc(F)ccc1C1CCN(CCCN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2c2ccccn2)CC1.

What is the InChIKey of 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one?

The InChIKey is NSHMMEJDAQHOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F3N4O/c1-24-23-30(38)14-15-31(24)25-16-21-41(22-17-25)19-4-20-42-33(32-5-2-3-18-39-32)40-35(34(42)43,26-6-10-28(36)11-7-26)27-8-12-29(37)13-9-27/h2-3,5-15,18,23,25H,4,16-17,19-22H2,1H3.

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

3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one has a molecular weight of 582.67 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one is sourced from PubChem (CID 142917696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).