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

C9H19BrN2O — CID 171406266

IUPAC2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide
SMILESCN1C=C[N+](C)(CCO)C1(C)C.[Br-]
InChIInChI=1S/C9H19N2O.BrH/c1-9(2)10(3)5-6-11(9,4)7-8-12;/h5-6,12H,7-8H2,1-4H3;1H/q+1;/p-1
InChIKeyKJZYAEJRPVTSTJ-UHFFFAOYSA-M
MW251.17 g/mol
LogP-2.42
Rot. Bonds2

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

2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide (PubChem CID 171406266) has the molecular formula C9H19BrN2O and a molecular weight of 251.17 g/mol. Its IUPAC name is 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide.

Molecular Properties

Compound Name2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide
PubChem CID171406266
Molecular FormulaC9H19BrN2O
Molecular Weight251.17 g/mol
Exact Mass250.07
IUPAC Name2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide
SMILESCN1C=C[N+](C)(CCO)C1(C)C.[Br-]
InChIInChI=1S/C9H19N2O.BrH/c1-9(2)10(3)5-6-11(9,4)7-8-12;/h5-6,12H,7-8H2,1-4H3;1H/q+1;/p-1
InChIKeyKJZYAEJRPVTSTJ-UHFFFAOYSA-M
XLogP-2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 5-2.42
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

1-(2-Hydroxyethyl)-3-methylimidazole
CID 57351561
(1,3-ditert-butyl-2H-imidazol-2-yl)methanediol
CID 134964084
2-(3-butyl-2H-imidazol-1-yl)ethanol
CID 52911375
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol
CID 58841196
2-(2,3-dimethyl-2H-imidazol-1-yl)ethanol
CID 66763798
2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol
CID 68419011
2-(3-ethyl-2H-imidazol-1-yl)ethanol
CID 68799429
2-(3-propyl-2H-imidazol-1-yl)ethanol
CID 68799972
1-(2,3-dimethyl-2H-imidazol-1-yl)propan-2-ol
CID 69235069
1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol
CID 69236129
1-(3-butyl-2H-imidazol-1-yl)propan-2-ol
CID 69731321
2-[3-[1-ethyl-3-(2-hydroxyethyl)-2H-imidazol-2-yl]-2H-imidazol-1-yl]ethanol;hydrobromide
CID 89439915

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide?
The IUPAC name of 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide (CID 171406266) is 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide.
What is the SMILES notation for 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide?
The canonical SMILES for 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide is CN1C=C[N+](C)(CCO)C1(C)C.[Br-].
What is the InChIKey of 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide?
The InChIKey is KJZYAEJRPVTSTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19N2O.BrH/c1-9(2)10(3)5-6-11(9,4)7-8-12;/h5-6,12H,7-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide?
2-(1,2,2,3-tetramethylimidazol-1-ium-1-yl)ethanol bromide has a molecular weight of 251.17 g/mol, XLogP of -2.42, 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 bromide is sourced from PubChem (CID 171406266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).