5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one

C36H42F2N4O2 — CID 142917213

About 5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one

5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one (PubChem CID 142917213) has the molecular formula C36H42F2N4O2 and a molecular weight of 600.75 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one.

Molecular Properties

• Compound Name: 5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one
• PubChem CID: 142917213
• Molecular Formula: C36H42F2N4O2
• Molecular Weight: 600.75 g/mol
• Exact Mass: 600.33
• IUPAC Name: 5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one
• SMILES: CCCc1ccc(C2CCN(CCCN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3N3CCOCC3)CC2)cc1
• InChI: InChI=1S/C36H42F2N4O2/c1-2-4-27-5-7-28(8-6-27)29-17-21-40(22-18-29)19-3-20-42-34(43)36(30-9-13-32(37)14-10-30,31-11-15-33(38)16-12-31)39-35(42)41-23-25-44-26-24-41/h5-16,29H,2-4,17-26H2,1H3
• InChIKey: DZURHOSRUSXNBK-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 48.38 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.75
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one?

The IUPAC name of 5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one (CID 142917213) is 5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one.

What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one?

The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one is CCCc1ccc(C2CCN(CCCN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3N3CCOCC3)CC2)cc1.

What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one?

The InChIKey is DZURHOSRUSXNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42F2N4O2/c1-2-4-27-5-7-28(8-6-27)29-17-21-40(22-18-29)19-3-20-42-34(43)36(30-9-13-32(37)14-10-30,31-11-15-33(38)16-12-31)39-35(42)41-23-25-44-26-24-41/h5-16,29H,2-4,17-26H2,1H3.

What are the key properties of 5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one?

5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one has a molecular weight of 600.75 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one is sourced from PubChem (CID 142917213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).