1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole

C77H132F6N10O+4 — CID 159790938

About 1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole

1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole (PubChem CID 159790938) has the molecular formula C77H132F6N10O+4 and a molecular weight of 1327.96 g/mol. Its IUPAC name is 1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole.

Molecular Properties

• Compound Name: 1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole
• PubChem CID: 159790938
• Molecular Formula: C77H132F6N10O+4
• Molecular Weight: 1327.96 g/mol
• Exact Mass: 1327.05
• IUPAC Name: 1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole
• SMILES: C.C.CC.CC.CC.CC.CC.CC.CC.CC(C)OC(c1cccc[n+]1C(C)C)(C(F)(F)F)C(F)(F)F.CC(C)n1c(-c2cccc[n+]2C(C)C)nc2ccccc21.CC(C)n1ccnc1-c1cccc[n+]1C(C)(C)C.CC(C)n1nccc1-c1cccc[n+]1C(C)C
• InChI: InChI=1S/C18H22N3.C15H22N3.C14H18F6NO.C14H20N3.7C2H6.2CH4/c1-13(2)20-12-8-7-11-17(20)18-19-15-9-5-6-10-16(15)21(18)14(3)4;1-12(2)17-11-9-16-14(17)13-8-6-7-10-18(13)15(3,4)5;1-9(2)21-8-6-5-7-11(21)12(13(15,16)17,14(18,19)20)22-10(3)4;1-11(2)16-10-6-5-7-13(16)14-8-9-15-17(14)12(3)4;7*1-2;;/h5-14H,1-4H3;6-12H,1-5H3;5-10H,1-4H3;5-12H,1-4H3;7*1-2H3;2*1H4/q4*+1
• InChIKey: YVOVIDFINLXDNE-UHFFFAOYSA-N
• XLogP: 23.08
• TPSA: 78.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1327.96
LogP ≤ 5	23.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole?

The IUPAC name of 1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole (CID 159790938) is 1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole.

What is the SMILES notation for 1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole?

The canonical SMILES for 1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole is C.C.CC.CC.CC.CC.CC.CC.CC.CC(C)OC(c1cccc[n+]1C(C)C)(C(F)(F)F)C(F)(F)F.CC(C)n1c(-c2cccc[n+]2C(C)C)nc2ccccc21.CC(C)n1ccnc1-c1cccc[n+]1C(C)(C)C.CC(C)n1nccc1-c1cccc[n+]1C(C)C.

What is the InChIKey of 1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole?

The InChIKey is YVOVIDFINLXDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N3.C15H22N3.C14H18F6NO.C14H20N3.7C2H6.2CH4/c1-13(2)20-12-8-7-11-17(20)18-19-15-9-5-6-10-16(15)21(18)14(3)4;1-12(2)17-11-9-16-14(17)13-8-6-7-10-18(13)15(3,4)5;1-9(2)21-8-6-5-7-11(21)12(13(15,16)17,14(18,19)20)22-10(3)4;1-11(2)16-10-6-5-7-13(16)14-8-9-15-17(14)12(3)4;7*1-2;;/h5-14H,1-4H3;6-12H,1-5H3;5-10H,1-4H3;5-12H,1-4H3;7*1-2H3;2*1H4/q4*+1;;;;;;;;;.

What are the key properties of 1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole?

1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole has a molecular weight of 1327.96 g/mol, XLogP of 23.08, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;methane;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole is sourced from PubChem (CID 159790938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).