2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C26H32F4N4OSi — CID 22969433

About 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 22969433) has the molecular formula C26H32F4N4OSi and a molecular weight of 520.65 g/mol. Its IUPAC name is 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 22969433
• Molecular Formula: C26H32F4N4OSi
• Molecular Weight: 520.65 g/mol
• Exact Mass: 520.23
• IUPAC Name: 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccccc2F)CC1
• InChI: InChI=1S/C26H32F4N4OSi/c1-36(2,3)16-15-35-19-34-18-23(20-7-6-8-21(17-20)26(28,29)30)31-25(34)33-13-11-32(12-14-33)24-10-5-4-9-22(24)27/h4-10,17-18H,11-16,19H2,1-3H3
• InChIKey: LBWIDTUJNMLXGH-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.65
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 22969433) is 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccccc2F)CC1.

What is the InChIKey of 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is LBWIDTUJNMLXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F4N4OSi/c1-36(2,3)16-15-35-19-34-18-23(20-7-6-8-21(17-20)26(28,29)30)31-25(34)33-13-11-32(12-14-33)24-10-5-4-9-22(24)27/h4-10,17-18H,11-16,19H2,1-3H3.

What are the key properties of 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 520.65 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 22969433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).