2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol

C9H19N2O+ — CID 171406267

IUPAC2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol
SMILESCN1C=C[N+](C)(CCO)C1(C)C
InChIInChI=1S/C9H19N2O/c1-9(2)10(3)5-6-11(9,4)7-8-12/h5-6,12H,7-8H2,1-4H3/q+1
InChIKeyAAHTVGZYYXQJQX-UHFFFAOYSA-N
MW171.26 g/mol
LogP0.58
Rot. Bonds2

About 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol

2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol (PubChem CID 171406267) has the molecular formula C9H19N2O+ and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol
PubChem CID171406267
Molecular FormulaC9H19N2O+
Molecular Weight171.26 g/mol
Exact Mass171.15
IUPAC Name2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol
SMILESCN1C=C[N+](C)(CCO)C1(C)C
InChIInChI=1S/C9H19N2O/c1-9(2)10(3)5-6-11(9,4)7-8-12/h5-6,12H,7-8H2,1-4H3/q+1
InChIKeyAAHTVGZYYXQJQX-UHFFFAOYSA-N
XLogP0.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 57070894
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CID 57351561
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CID 134964084
[2-(dimethylamino)-1,3-dimethyl-2H-imidazol-4-yl]methanol
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2-(3-butyl-2H-imidazol-1-yl)ethanol
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CID 66763798
1-(3-methyl-2H-imidazol-1-yl)butan-2-ol
CID 67438474
2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol
CID 68419011
3-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol?
The IUPAC name of 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol (CID 171406267) is 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol.
What is the SMILES notation for 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol?
The canonical SMILES for 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol is CN1C=C[N+](C)(CCO)C1(C)C.
What is the InChIKey of 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol?
The InChIKey is AAHTVGZYYXQJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O/c1-9(2)10(3)5-6-11(9,4)7-8-12/h5-6,12H,7-8H2,1-4H3/q+1.
What are the key properties of 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol?
2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol has a molecular weight of 171.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol is sourced from PubChem (CID 171406267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).