2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium

C58H108N16+8 — CID 157108694

About 2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium

2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium (PubChem CID 157108694) has the molecular formula C58H108N16+8 and a molecular weight of 1029.61 g/mol. Its IUPAC name is 2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium.

Molecular Properties

• Compound Name: 2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium
• PubChem CID: 157108694
• Molecular Formula: C58H108N16+8
• Molecular Weight: 1029.61 g/mol
• Exact Mass: 1028.89
• IUPAC Name: 2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium
• SMILES: CCc1c[n+](C)c(CC)n1C.CCc1n(C)c(C)c[n+]1C.CCc1n(C)cc[n+]1C.CCn1cc[n+](C)c1C.Cc1c(C)[n+](C)c(C)n1C.Cc1c[n+](C)c(C)n1C.Cc1c[n+](C)cn1C.Cc1n(C)cc[n+]1C
• InChI: InChI=1S/C9H17N2.2C8H15N2.3C7H13N2.2C6H11N2/c1-5-8-7-10(3)9(6-2)11(8)4;1-6-7(2)10(5)8(3)9(6)4;1-5-8-9(3)6-7(2)10(8)4;1-6-5-8(3)7(2)9(6)4;1-4-7-8(2)5-6-9(7)3;1-4-9-6-5-8(3)7(9)2;1-6-4-7(2)5-8(6)3;1-6-7(2)4-5-8(6)3/h7H,5-6H2,1-4H3;1-5H3;6H,5H2,1-4H3;5H,1-4H3;2*5-6H,4H2,1-3H3;2*4-5H,1-3H3/q8*+1
• InChIKey: AGPFEXSRIQLRBU-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 70.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1029.61
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium?

The IUPAC name of 2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium (CID 157108694) is 2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium.

What is the SMILES notation for 2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium?

The canonical SMILES for 2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium is CCc1c[n+](C)c(CC)n1C.CCc1n(C)c(C)c[n+]1C.CCc1n(C)cc[n+]1C.CCn1cc[n+](C)c1C.Cc1c(C)[n+](C)c(C)n1C.Cc1c[n+](C)c(C)n1C.Cc1c[n+](C)cn1C.Cc1n(C)cc[n+]1C.

What is the InChIKey of 2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium?

The InChIKey is AGPFEXSRIQLRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2.2C8H15N2.3C7H13N2.2C6H11N2/c1-5-8-7-10(3)9(6-2)11(8)4;1-6-7(2)10(5)8(3)9(6)4;1-5-8-9(3)6-7(2)10(8)4;1-6-5-8(3)7(2)9(6)4;1-4-7-8(2)5-6-9(7)3;1-4-9-6-5-8(3)7(9)2;1-6-4-7(2)5-8(6)3;1-6-7(2)4-5-8(6)3/h7H,5-6H2,1-4H3;1-5H3;6H,5H2,1-4H3;5H,1-4H3;2*5-6H,4H2,1-3H3;2*4-5H,1-3H3/q8*+1.

What are the key properties of 2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium?

2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium has a molecular weight of 1029.61 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium is sourced from PubChem (CID 157108694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).