3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium

C20H36N4O2+2 — CID 175885635

IUPAC3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium
SMILESCCCC[n+]1cc[nH]c1CCOCCOCCc1[nH]cc[n+]1CCCC
InChIInChI=1S/C20H34N4O2/c1-3-5-11-23-13-9-21-19(23)7-15-25-17-18-26-16-8-20-22-10-14-24(20)12-6-4-2/h9-10,13-14H,3-8,11-12,15-18H2,1-2H3/p+2
InChIKeyWOSIUMPKWQJVBM-UHFFFAOYSA-P
MW364.53 g/mol
LogP2.34
Rot. Bonds15

About 3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium

3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium (PubChem CID 175885635) has the molecular formula C20H36N4O2+2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium.

Molecular Properties

Compound Name3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium
PubChem CID175885635
Molecular FormulaC20H36N4O2+2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium
SMILESCCCC[n+]1cc[nH]c1CCOCCOCCc1[nH]cc[n+]1CCCC
InChIInChI=1S/C20H34N4O2/c1-3-5-11-23-13-9-21-19(23)7-15-25-17-18-26-16-8-20-22-10-14-24(20)12-6-4-2/h9-10,13-14H,3-8,11-12,15-18H2,1-2H3/p+2
InChIKeyWOSIUMPKWQJVBM-UHFFFAOYSA-P
XLogP2.34
TPSA57.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium with MolForge

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Related Compounds

2,3-dibutyl-1H-imidazol-3-ium hydroxide
CID 172851412
2-heptadecyl-3-octadecyl-1H-imidazol-3-ium
CID 137364034
3-(3-hexyl-1H-imidazol-3-ium-2-yl)propan-1-amine
CID 165177868
2-(8-methylnonyl)-3-pentadecyl-1H-imidazol-3-ium
CID 69388464
3-octyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-3-ium
CID 69095147
2-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1H-imidazol-3-ium
CID 89464488
2-butoxyethyl 2-(3-methyl-1H-imidazol-3-ium-2-yl)acetate
CID 87551991
bis(3-dodecyl-2-methyl-1H-imidazol-3-ium) dibromide
CID 67713981
3-benzyl-2-tridecyl-1H-imidazol-3-ium
CID 69390813
2-[2-(propoxymethyl)-1H-imidazol-3-ium-3-yl]acetonitrile
CID 151827202
2,6-bis(3-butyl-1H-imidazol-3-ium-2-yl)pyridine
CID 68719517
3-methyl-2-octadecyl-1H-imidazol-3-ium
CID 68727149

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium?
The IUPAC name of 3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium (CID 175885635) is 3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium.
What is the SMILES notation for 3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium?
The canonical SMILES for 3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium is CCCC[n+]1cc[nH]c1CCOCCOCCc1[nH]cc[n+]1CCCC.
What is the InChIKey of 3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium?
The InChIKey is WOSIUMPKWQJVBM-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H34N4O2/c1-3-5-11-23-13-9-21-19(23)7-15-25-17-18-26-16-8-20-22-10-14-24(20)12-6-4-2/h9-10,13-14H,3-8,11-12,15-18H2,1-2H3/p+2.
What are the key properties of 3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium?
3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium has a molecular weight of 364.53 g/mol, XLogP of 2.34, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-[2-[2-[2-(3-butyl-1H-imidazol-3-ium-2-yl)ethoxy]ethoxy]ethyl]-1H-imidazol-3-ium is sourced from PubChem (CID 175885635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).