3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane

C83H173N14+7 — CID 159638410

About 3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane

3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane (PubChem CID 159638410) has the molecular formula C83H173N14+7 and a molecular weight of 1367.39 g/mol. Its IUPAC name is 3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane.

Molecular Properties

• Compound Name: 3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane
• PubChem CID: 159638410
• Molecular Formula: C83H173N14+7
• Molecular Weight: 1367.39 g/mol
• Exact Mass: 1366.39
• IUPAC Name: 3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane
• SMILES: C.C.C.C.C.C.C.CCCC[n+]1cc(C)n(C)c1C.CCCCc1c[n+](C)cn1CCCC.CCCCn1c(C)c(C)[n+](C)c1C.CCCCn1c(C)c[n+](C)c1C.CCCCn1c[n+](C)cc1C(C)(C)C.CCCCn1c[n+](C)cc1C(C)C.CCCCn1c[n+](C)cc1CC
• InChI: InChI=1S/2C12H23N2.2C11H21N2.3C10H19N2.7CH4/c1-6-7-8-14-10-13(5)9-11(14)12(2,3)4;1-4-6-8-12-10-13(3)11-14(12)9-7-5-2;1-6-7-8-13-10(3)9(2)12(5)11(13)4;1-5-6-7-13-9-12(4)8-11(13)10(2)3;1-5-6-7-12-8-9(2)11(4)10(12)3;1-5-6-7-12-9(2)8-11(4)10(12)3;1-4-6-7-12-9-11(3)8-10(12)5-2;;;;;;;/h9-10H,6-8H2,1-5H3;10-11H,4-9H2,1-3H3;6-8H2,1-5H3;8-10H,5-7H2,1-4H3;2*8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;7*1H4/q7*+1
• InChIKey: ZFRPNBRSMRSWNX-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 61.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 26
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1367.39
LogP ≤ 5	18.73
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 3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane?

The IUPAC name of 3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane (CID 159638410) is 3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane.

What is the SMILES notation for 3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane?

The canonical SMILES for 3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane is C.C.C.C.C.C.C.CCCC[n+]1cc(C)n(C)c1C.CCCCc1c[n+](C)cn1CCCC.CCCCn1c(C)c(C)[n+](C)c1C.CCCCn1c(C)c[n+](C)c1C.CCCCn1c[n+](C)cc1C(C)(C)C.CCCCn1c[n+](C)cc1C(C)C.CCCCn1c[n+](C)cc1CC.

What is the InChIKey of 3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane?

The InChIKey is ZFRPNBRSMRSWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H23N2.2C11H21N2.3C10H19N2.7CH4/c1-6-7-8-14-10-13(5)9-11(14)12(2,3)4;1-4-6-8-12-10-13(3)11-14(12)9-7-5-2;1-6-7-8-13-10(3)9(2)12(5)11(13)4;1-5-6-7-13-9-12(4)8-11(13)10(2)3;1-5-6-7-12-8-9(2)11(4)10(12)3;1-5-6-7-12-9(2)8-11(4)10(12)3;1-4-6-7-12-9-11(3)8-10(12)5-2;;;;;;;/h9-10H,6-8H2,1-5H3;10-11H,4-9H2,1-3H3;6-8H2,1-5H3;8-10H,5-7H2,1-4H3;2*8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;7*1H4/q7*+1;;;;;;;.

What are the key properties of 3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane?

3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane has a molecular weight of 1367.39 g/mol, XLogP of 18.73, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butyl-4-tert-butyl-1-methylimidazol-1-ium;3-butyl-4-ethyl-1-methylimidazol-1-ium;3-butyl-1-methyl-4-propan-2-ylimidazol-1-ium;1-butyl-2,3,4,5-tetramethylimidazol-3-ium;1-butyl-2,3,4-trimethylimidazol-1-ium;3-butyl-1,2,4-trimethylimidazol-1-ium;3,4-dibutyl-1-methylimidazol-1-ium;methane is sourced from PubChem (CID 159638410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).