5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one

C35H33F2N3O3 — CID 142917231

About 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one (PubChem CID 142917231) has the molecular formula C35H33F2N3O3 and a molecular weight of 581.66 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one.

Molecular Properties

• Compound Name: 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one
• PubChem CID: 142917231
• Molecular Formula: C35H33F2N3O3
• Molecular Weight: 581.66 g/mol
• Exact Mass: 581.25
• IUPAC Name: 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one
• SMILES: O=C1N(CC(O)CN2CCC(c3ccc(O)cc3)CC2)C(c2ccccc2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
• InChI: InChI=1S/C35H33F2N3O3/c36-29-12-8-27(9-13-29)35(28-10-14-30(37)15-11-28)34(43)40(33(38-35)26-4-2-1-3-5-26)23-32(42)22-39-20-18-25(19-21-39)24-6-16-31(41)17-7-24/h1-17,25,32,41-42H,18-23H2
• InChIKey: KWOINSZKHLYIRC-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 76.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.66
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one (CID 142917231) is 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one.

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

The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one is O=C1N(CC(O)CN2CCC(c3ccc(O)cc3)CC2)C(c2ccccc2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1.

What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one?

The InChIKey is KWOINSZKHLYIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F2N3O3/c36-29-12-8-27(9-13-29)35(28-10-14-30(37)15-11-28)34(43)40(33(38-35)26-4-2-1-3-5-26)23-32(42)22-39-20-18-25(19-21-39)24-6-16-31(41)17-7-24/h1-17,25,32,41-42H,18-23H2.

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

5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one has a molecular weight of 581.66 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one is sourced from PubChem (CID 142917231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).