trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane

C29H38F6N6OSi — CID 11541868

About trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane (PubChem CID 11541868) has the molecular formula C29H38F6N6OSi and a molecular weight of 628.74 g/mol. Its IUPAC name is trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 11541868
• Molecular Formula: C29H38F6N6OSi
• Molecular Weight: 628.74 g/mol
• Exact Mass: 628.28
• IUPAC Name: trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane
• SMILES: C[Si](C)(C)CCOCn1c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc2c(N3CCCCC3)cc(C(F)(F)F)cc21
• InChI: InChI=1S/C29H38F6N6OSi/c1-43(2,3)17-16-42-20-41-24-19-21(28(30,31)32)18-23(38-10-5-4-6-11-38)25(24)37-27(41)40-14-12-39(13-15-40)26-22(29(33,34)35)8-7-9-36-26/h7-9,18-19H,4-6,10-17,20H2,1-3H3
• InChIKey: VOFMYDHEXDSDPP-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 49.66 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.74
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane (CID 11541868) is trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc2c(N3CCCCC3)cc(C(F)(F)F)cc21.

What is the InChIKey of trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane?

The InChIKey is VOFMYDHEXDSDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F6N6OSi/c1-43(2,3)17-16-42-20-41-24-19-21(28(30,31)32)18-23(38-10-5-4-6-11-38)25(24)37-27(41)40-14-12-39(13-15-40)26-22(29(33,34)35)8-7-9-36-26/h7-9,18-19H,4-6,10-17,20H2,1-3H3.

What are the key properties of trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane?

trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 628.74 g/mol, XLogP of 7.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 11541868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).