trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane

C25H32F3N5OSi — CID 22969507

About trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 22969507) has the molecular formula C25H32F3N5OSi and a molecular weight of 503.65 g/mol. Its IUPAC name is trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 22969507
• Molecular Formula: C25H32F3N5OSi
• Molecular Weight: 503.65 g/mol
• Exact Mass: 503.23
• IUPAC Name: trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
• SMILES: C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccccn2)CC1
• InChI: InChI=1S/C25H32F3N5OSi/c1-35(2,3)16-15-34-19-33-18-22(20-7-6-8-21(17-20)25(26,27)28)30-24(33)32-13-11-31(12-14-32)23-9-4-5-10-29-23/h4-10,17-18H,11-16,19H2,1-3H3
• InChIKey: DHIQPUIZTUBXJB-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.65
LogP ≤ 5	5.60
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 trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (CID 22969507) is trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccccn2)CC1.

What is the InChIKey of trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?

The InChIKey is DHIQPUIZTUBXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5OSi/c1-35(2,3)16-15-34-19-33-18-22(20-7-6-8-21(17-20)25(26,27)28)30-24(33)32-13-11-31(12-14-32)23-9-4-5-10-29-23/h4-10,17-18H,11-16,19H2,1-3H3.

What are the key properties of trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?

trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 503.65 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 22969507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).