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

C51H65F6N9O2Si2 — CID 91106839

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

trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyridin-3-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 91106839) has the molecular formula C51H65F6N9O2Si2 and a molecular weight of 1006.30 g/mol. Its IUPAC name is trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyridin-3-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyridin-3-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 91106839
• Molecular Formula: C51H65F6N9O2Si2
• Molecular Weight: 1006.30 g/mol
• Exact Mass: 1005.47
• IUPAC Name: trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyridin-3-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(c2ccccc2)CC1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2cccnc2)CC1
• InChI: InChI=1S/C26H33F3N4OSi.C25H32F3N5OSi/c1-35(2,3)17-16-34-20-33-19-24(21-8-7-9-22(18-21)26(27,28)29)30-25(33)32-14-12-31(13-15-32)23-10-5-4-6-11-23;1-35(2,3)15-14-34-19-33-18-23(20-6-4-7-21(16-20)25(26,27)28)30-24(33)32-12-10-31(11-13-32)22-8-5-9-29-17-22/h4-11,18-19H,12-17,20H2,1-3H3;4-9,16-18H,10-15,19H2,1-3H3
• InChIKey: NTMXNJDMBHRXNS-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 79.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1006.30
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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

The IUPAC name of trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyridin-3-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (CID 91106839) is trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyridin-3-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.

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

The canonical SMILES for trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyridin-3-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(c2ccccc2)CC1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2cccnc2)CC1.

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

The InChIKey is NTMXNJDMBHRXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4OSi.C25H32F3N5OSi/c1-35(2,3)17-16-34-20-33-19-24(21-8-7-9-22(18-21)26(27,28)29)30-25(33)32-14-12-31(13-15-32)23-10-5-4-6-11-23;1-35(2,3)15-14-34-19-33-18-23(20-6-4-7-21(16-20)25(26,27)28)30-24(33)32-12-10-31(11-13-32)22-8-5-9-29-17-22/h4-11,18-19H,12-17,20H2,1-3H3;4-9,16-18H,10-15,19H2,1-3H3.

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

trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyridin-3-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1006.30 g/mol, XLogP of 11.81, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[2-(4-phenylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-(4-pyridin-3-ylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 91106839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).