trimethyl-[2-[[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane

C26H34F3N5OSi — CID 22969511

About trimethyl-[2-[[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 22969511) has the molecular formula C26H34F3N5OSi and a molecular weight of 517.67 g/mol. Its IUPAC name is trimethyl-[2-[[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 22969511
• Molecular Formula: C26H34F3N5OSi
• Molecular Weight: 517.67 g/mol
• Exact Mass: 517.25
• IUPAC Name: trimethyl-[2-[[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
• SMILES: Cc1cccc(N2CCN(c3nc(-c4cccc(C(F)(F)F)c4)cn3COCC[Si](C)(C)C)CC2)n1
• InChI: InChI=1S/C26H34F3N5OSi/c1-20-7-5-10-24(30-20)32-11-13-33(14-12-32)25-31-23(18-34(25)19-35-15-16-36(2,3)4)21-8-6-9-22(17-21)26(27,28)29/h5-10,17-18H,11-16,19H2,1-4H3
• InChIKey: KQLUFIACEGTMSE-UHFFFAOYSA-N
• XLogP: 5.91
• 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	517.67
LogP ≤ 5	5.91
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-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane (CID 22969511) is trimethyl-[2-[[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane.

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

The canonical SMILES for trimethyl-[2-[[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane is Cc1cccc(N2CCN(c3nc(-c4cccc(C(F)(F)F)c4)cn3COCC[Si](C)(C)C)CC2)n1.

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

The InChIKey is KQLUFIACEGTMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N5OSi/c1-20-7-5-10-24(30-20)32-11-13-33(14-12-32)25-31-23(18-34(25)19-35-15-16-36(2,3)4)21-8-6-9-22(17-21)26(27,28)29/h5-10,17-18H,11-16,19H2,1-4H3.

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

trimethyl-[2-[[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 517.67 g/mol, XLogP of 5.91, 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-(6-methyl-2-pyridinyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 22969511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).