2-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C25H31BrF3N5OSi — CID 22969436

About 2-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 22969436) has the molecular formula C25H31BrF3N5OSi and a molecular weight of 582.54 g/mol. Its IUPAC name is 2-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 22969436
• Molecular Formula: C25H31BrF3N5OSi
• Molecular Weight: 582.54 g/mol
• Exact Mass: 581.14
• IUPAC Name: 2-[[2-[4-(5-bromo-2-pyridinyl)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(c2ccc(Br)cn2)CC1
• InChI: InChI=1S/C25H31BrF3N5OSi/c1-36(2,3)14-13-35-18-34-17-22(19-5-4-6-20(15-19)25(27,28)29)31-24(34)33-11-9-32(10-12-33)23-8-7-21(26)16-30-23/h4-8,15-17H,9-14,18H2,1-3H3
• InChIKey: ULKVOZMUKUXTMK-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.54
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 22969436) is 2-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[2-[4-(5-bromo-2-pyridinyl)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(c2ccc(Br)cn2)CC1.

What is the InChIKey of 2-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is ULKVOZMUKUXTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31BrF3N5OSi/c1-36(2,3)14-13-35-18-34-17-22(19-5-4-6-20(15-19)25(27,28)29)31-24(34)33-11-9-32(10-12-33)23-8-7-21(26)16-30-23/h4-8,15-17H,9-14,18H2,1-3H3.

What are the key properties of 2-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 582.54 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 22969436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).