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

C26H31F6N5OSi — CID 22969522

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

trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 22969522) has the molecular formula C26H31F6N5OSi and a molecular weight of 571.64 g/mol. Its IUPAC name is trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 22969522
• Molecular Formula: C26H31F6N5OSi
• Molecular Weight: 571.64 g/mol
• Exact Mass: 571.22
• IUPAC Name: trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane
• SMILES: C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2cc(C(F)(F)F)ccn2)CC1
• InChI: InChI=1S/C26H31F6N5OSi/c1-39(2,3)14-13-38-18-37-17-22(19-5-4-6-20(15-19)25(27,28)29)34-24(37)36-11-9-35(10-12-36)23-16-21(7-8-33-23)26(30,31)32/h4-8,15-17H,9-14,18H2,1-3H3
• InChIKey: MXUDFKYYUVUURF-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.64
LogP ≤ 5	6.62
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-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane (CID 22969522) is trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane.

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

The canonical SMILES for trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2cc(C(F)(F)F)ccn2)CC1.

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

The InChIKey is MXUDFKYYUVUURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F6N5OSi/c1-39(2,3)14-13-38-18-37-17-22(19-5-4-6-20(15-19)25(27,28)29)34-24(37)36-11-9-35(10-12-36)23-16-21(7-8-33-23)26(30,31)32/h4-8,15-17H,9-14,18H2,1-3H3.

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

trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 571.64 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 22969522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).