1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride

C262H517Cl5N10O2 — CID 163833255

About 1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride

1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride (PubChem CID 163833255) has the molecular formula C262H517Cl5N10O2 and a molecular weight of 4017.35 g/mol. Its IUPAC name is 1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride.

Molecular Properties

• Compound Name: 1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride
• PubChem CID: 163833255
• Molecular Formula: C262H517Cl5N10O2
• Molecular Weight: 4017.35 g/mol
• Exact Mass: 4011.91
• IUPAC Name: 1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC(CCCCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)n1cc[n+](CC)c1.CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CCCCC(CCCCCCCCCCCCCC)n1cc[n+](CCO)c1.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)CCCn1cc[n+](C)c1.CCCCCCCCCCCCCCCCCCC(CCCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)n1cc[n+](C)c1.CCCCCCCCCCCCCCCCCCC(CCCCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)n1cc[n+](CCO)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C57H113N2O.C57H77N2.C55H109N2.C53H105N2O.C40H79N2.5ClH.17H2/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-49-57(59-52-51-58(55-59)53-54-60)50-45-44-48-56(46-41-38-35-32-29-23-20-17-14-11-8-5-2)47-42-39-36-33-30-24-21-18-15-12-9-6-3;1-5-9-12-15-18-21-24-27-28-29-30-33-36-39-42-45-51-57(59-54-53-58(8-4)55-59)52-47-46-50-56(48-43-40-37-34-31-25-22-19-16-13-10-6-2)49-44-41-38-35-32-26-23-20-17-14-11-7-3;1-5-8-11-14-17-20-23-26-27-28-29-32-35-38-41-44-49-55(57-52-51-56(4)53-57)50-45-48-54(46-42-39-36-33-30-24-21-18-15-12-9-6-2)47-43-40-37-34-31-25-22-19-16-13-10-7-3;1-4-7-10-13-16-19-22-25-28-31-34-37-42-52(43-38-35-32-29-26-23-20-17-14-11-8-5-2)44-40-41-46-53(55-48-47-54(51-55)49-50-56)45-39-36-33-30-27-24-21-18-15-12-9-6-3;1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33-40(35-32-36-42-38-37-41(3)39-42)34-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;;;;;;;;;;;;;;;;;;;;;;/h51-52,55-57,60H,4-50,53-54H2,1-3H3;1,53-57H,6-8,10-11,13-14,16-17,19-20,22-23,25-26,31-32,34-35,37-38,40-41,43-44,46-50,52H2,2-4H3;51-55H,5-50H2,1-4H3;47-48,51-53,56H,4-46,49-50H2,1-3H3;37-40H,4-36H2,1-3H3;22*1H/q5*+1;;;;;;;;;;;;;;;;;;;;;;/p-5
• InChIKey: VGFKNTLSVRTLRW-UHFFFAOYSA-I
• XLogP: 72.56
• TPSA: 84.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 213
• Heavy Atoms: 279
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	4017.35
LogP ≤ 5	72.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride?

The IUPAC name of 1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride (CID 163833255) is 1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride.

What is the SMILES notation for 1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride?

The canonical SMILES for 1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride is C#CC#CC#CC#CC#CC#CC#CC#CC#CC(CCCCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)n1cc[n+](CC)c1.CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CCCCC(CCCCCCCCCCCCCC)n1cc[n+](CCO)c1.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)CCCn1cc[n+](C)c1.CCCCCCCCCCCCCCCCCCC(CCCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)n1cc[n+](C)c1.CCCCCCCCCCCCCCCCCCC(CCCCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)n1cc[n+](CCO)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride?

The InChIKey is VGFKNTLSVRTLRW-UHFFFAOYSA-I. The full InChI is InChI=1S/C57H113N2O.C57H77N2.C55H109N2.C53H105N2O.C40H79N2.5ClH.17H2/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-49-57(59-52-51-58(55-59)53-54-60)50-45-44-48-56(46-41-38-35-32-29-23-20-17-14-11-8-5-2)47-42-39-36-33-30-24-21-18-15-12-9-6-3;1-5-9-12-15-18-21-24-27-28-29-30-33-36-39-42-45-51-57(59-54-53-58(8-4)55-59)52-47-46-50-56(48-43-40-37-34-31-25-22-19-16-13-10-6-2)49-44-41-38-35-32-26-23-20-17-14-11-7-3;1-5-8-11-14-17-20-23-26-27-28-29-32-35-38-41-44-49-55(57-52-51-56(4)53-57)50-45-48-54(46-42-39-36-33-30-24-21-18-15-12-9-6-2)47-43-40-37-34-31-25-22-19-16-13-10-7-3;1-4-7-10-13-16-19-22-25-28-31-34-37-42-52(43-38-35-32-29-26-23-20-17-14-11-8-5-2)44-40-41-46-53(55-48-47-54(51-55)49-50-56)45-39-36-33-30-27-24-21-18-15-12-9-6-3;1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33-40(35-32-36-42-38-37-41(3)39-42)34-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;;;;;;;;;;;;;;;;;;;;;;/h51-52,55-57,60H,4-50,53-54H2,1-3H3;1,53-57H,6-8,10-11,13-14,16-17,19-20,22-23,25-26,31-32,34-35,37-38,40-41,43-44,46-50,52H2,2-4H3;51-55H,5-50H2,1-4H3;47-48,51-53,56H,4-46,49-50H2,1-3H3;37-40H,4-36H2,1-3H3;22*1H/q5*+1;;;;;;;;;;;;;;;;;;;;;;/p-5.

What are the key properties of 1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride?

1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride has a molecular weight of 4017.35 g/mol, XLogP of 72.56, 213 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(24-tetradecyloctatriaconta-1,3,5,7,9,11,13,15,17-nonayn-19-yl)imidazol-1-ium;1-(4-hexadecylicosyl)-3-methylimidazol-3-ium;1-methyl-3-(15-tetradecylheptatriacontan-19-yl)imidazol-1-ium;molecular hydrogen;2-[3-(24-tetradecyloctatriacontan-19-yl)imidazol-1-ium-1-yl]ethanol;2-[3-(20-tetradecyltetratriacontan-15-yl)imidazol-1-ium-1-yl]ethanol;pentachloride is sourced from PubChem (CID 163833255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).