1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C33H33F5N4O2 — CID 10077496

About 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 10077496) has the molecular formula C33H33F5N4O2 and a molecular weight of 612.64 g/mol. Its IUPAC name is 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
• PubChem CID: 10077496
• Molecular Formula: C33H33F5N4O2
• Molecular Weight: 612.64 g/mol
• Exact Mass: 612.25
• IUPAC Name: 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
• SMILES: CNC(=O)C1CN(CCCN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2C)CCC1c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C33H33F5N4O2/c1-21-40-32(23-8-12-26(34)13-9-23,24-10-14-27(35)15-11-24)31(44)42(21)18-3-17-41-19-16-28(29(20-41)30(43)39-2)22-4-6-25(7-5-22)33(36,37)38/h4-15,28-29H,3,16-20H2,1-2H3,(H,39,43)
• InChIKey: RNVQQLWMWAIEEC-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 65.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.64
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

The IUPAC name of 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 10077496) is 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CNC(=O)C1CN(CCCN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2C)CCC1c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

The InChIKey is RNVQQLWMWAIEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F5N4O2/c1-21-40-32(23-8-12-26(34)13-9-23,24-10-14-27(35)15-11-24)31(44)42(21)18-3-17-41-19-16-28(29(20-41)30(43)39-2)22-4-6-25(7-5-22)33(36,37)38/h4-15,28-29H,3,16-20H2,1-2H3,(H,39,43).

What are the key properties of 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 612.64 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 10077496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).