2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine

C44H52F6N10O3Si+2 — CID 157424621

About 2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine

2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine (PubChem CID 157424621) has the molecular formula C44H52F6N10O3Si+2 and a molecular weight of 911.04 g/mol. Its IUPAC name is 2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine.

Molecular Properties

• Compound Name: 2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine
• PubChem CID: 157424621
• Molecular Formula: C44H52F6N10O3Si+2
• Molecular Weight: 911.04 g/mol
• Exact Mass: 910.39
• IUPAC Name: 2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine
• SMILES: C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2cccc[n+]2O)CC1.O[n+]1ccccc1N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
• InChI: InChI=1S/C25H33F3N5O2Si.C19H19F3N5O/c1-36(2,3)16-15-35-19-32-18-22(20-7-6-8-21(17-20)25(26,27)28)29-24(32)31-13-11-30(12-14-31)23-9-4-5-10-33(23)34;20-19(21,22)15-5-3-4-14(12-15)16-13-23-18(24-16)26-10-8-25(9-11-26)17-6-1-2-7-27(17)28/h4-10,17-18,34H,11-16,19H2,1-3H3;1-7,12-13,28H,8-11H2,(H,23,24)/q2*+1
• InChIKey: BPUWADMVFIYJLJ-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 116.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.04
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine?

The IUPAC name of 2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine (CID 157424621) is 2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine.

What is the SMILES notation for 2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine?

The canonical SMILES for 2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine is C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2cccc[n+]2O)CC1.O[n+]1ccccc1N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.

What is the InChIKey of 2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine?

The InChIKey is BPUWADMVFIYJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N5O2Si.C19H19F3N5O/c1-36(2,3)16-15-35-19-32-18-22(20-7-6-8-21(17-20)25(26,27)28)29-24(32)31-13-11-30(12-14-31)23-9-4-5-10-33(23)34;20-19(21,22)15-5-3-4-14(12-15)16-13-23-18(24-16)26-10-8-25(9-11-26)17-6-1-2-7-27(17)28/h4-10,17-18,34H,11-16,19H2,1-3H3;1-7,12-13,28H,8-11H2,(H,23,24)/q2*+1.

What are the key properties of 2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine?

2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine has a molecular weight of 911.04 g/mol, XLogP of 7.68, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-(1-hydroxypyridin-1-ium-2-yl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-(1-hydroxypyridin-1-ium-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine is sourced from PubChem (CID 157424621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).