2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol

C12H25N2O+ — CID 175401521

IUPAC2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol
SMILESCCCCCC[N+]1(CCO)C=CN(C)C1
InChIInChI=1S/C12H25N2O/c1-3-4-5-6-8-14(10-11-15)9-7-13(2)12-14/h7,9,15H,3-6,8,10-12H2,1-2H3/q+1
InChIKeyWGIZMYQTQBAQOY-UHFFFAOYSA-N
MW213.34 g/mol
LogP1.75
Rot. Bonds7

About 2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol

2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol (PubChem CID 175401521) has the molecular formula C12H25N2O+ and a molecular weight of 213.34 g/mol. Its IUPAC name is 2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol
PubChem CID175401521
Molecular FormulaC12H25N2O+
Molecular Weight213.34 g/mol
Exact Mass213.20
IUPAC Name2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol
SMILESCCCCCC[N+]1(CCO)C=CN(C)C1
InChIInChI=1S/C12H25N2O/c1-3-4-5-6-8-14(10-11-15)9-7-13(2)12-14/h7,9,15H,3-6,8,10-12H2,1-2H3/q+1
InChIKeyWGIZMYQTQBAQOY-UHFFFAOYSA-N
XLogP1.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-3-methyl-1-pentyl-2H-imidazol-1-ium
CID 175091850
1-butyl-1-ethyl-3-methyl-2H-imidazol-1-ium bromide
CID 159090205
2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
CID 57265843
2-(1-hexadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
CID 70259579
(3-methyl-1-pentyl-2H-imidazol-1-ium-1-yl)urea
CID 174949136
N-ethyl-2-[3-[2-(ethylamino)-2-oxoethyl]-3-octyl-2H-imidazol-3-ium-1-yl]acetamide tetrafluoroborate
CID 141096076
2-(1,3-dibutyl-2H-imidazol-1-ium-1-yl)acetic acid
CID 139327100
2-(1-hexadecylpyrrolidin-1-ium-1-yl)ethanol
CID 134818001
1-ethyl-3-octyl-2H-imidazol-1-ium-1-carboxylic acid
CID 156700753
manganese;tridecan-1-ol
CID 175095673
manganese;bis(octadecan-1-ol)
CID 177458436
2-(1-heptylpiperidin-1-ium-1-yl)ethanol
CID 21152839

Frequently Asked Questions

What is the IUPAC name of 2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol?
The IUPAC name of 2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol (CID 175401521) is 2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol.
What is the SMILES notation for 2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol?
The canonical SMILES for 2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol is CCCCCC[N+]1(CCO)C=CN(C)C1.
What is the InChIKey of 2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol?
The InChIKey is WGIZMYQTQBAQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2O/c1-3-4-5-6-8-14(10-11-15)9-7-13(2)12-14/h7,9,15H,3-6,8,10-12H2,1-2H3/q+1.
What are the key properties of 2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol?
2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol has a molecular weight of 213.34 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hexyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol is sourced from PubChem (CID 175401521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).