N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide

C31H34F3N5O2 — CID 11592199

About N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 11592199) has the molecular formula C31H34F3N5O2 and a molecular weight of 565.64 g/mol. Its IUPAC name is N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
• PubChem CID: 11592199
• Molecular Formula: C31H34F3N5O2
• Molecular Weight: 565.64 g/mol
• Exact Mass: 565.27
• IUPAC Name: N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(C2CCN(CCCNc3nc4ccccc4n3Cc3cccc(OC(F)(F)F)c3)CC2)c1
• InChI: InChI=1S/C31H34F3N5O2/c1-22(40)36-26-9-5-8-25(20-26)24-13-17-38(18-14-24)16-6-15-35-30-37-28-11-2-3-12-29(28)39(30)21-23-7-4-10-27(19-23)41-31(32,33)34/h2-5,7-12,19-20,24H,6,13-18,21H2,1H3,(H,35,37)(H,36,40)
• InChIKey: CJMPRNGIJURBAZ-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 71.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.64
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide?

The IUPAC name of N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide (CID 11592199) is N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCNc3nc4ccccc4n3Cc3cccc(OC(F)(F)F)c3)CC2)c1.

What is the InChIKey of N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide?

The InChIKey is CJMPRNGIJURBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N5O2/c1-22(40)36-26-9-5-8-25(20-26)24-13-17-38(18-14-24)16-6-15-35-30-37-28-11-2-3-12-29(28)39(30)21-23-7-4-10-27(19-23)41-31(32,33)34/h2-5,7-12,19-20,24H,6,13-18,21H2,1H3,(H,35,37)(H,36,40).

What are the key properties of N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide?

N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 565.64 g/mol, XLogP of 6.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 11592199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).