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

C8H17ClN2O — CID 175194963

IUPAC2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride
SMILESCC[N+]1(CCO)C=CN(C)C1.[Cl-]
InChIInChI=1S/C8H17N2O.ClH/c1-3-10(6-7-11)5-4-9(2)8-10;/h4-5,11H,3,6-8H2,1-2H3;1H/q+1;/p-1
InChIKeyYBHBAMZDOHQULI-UHFFFAOYSA-M
MW192.69 g/mol
LogP-2.81
Rot. Bonds3

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

2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride (PubChem CID 175194963) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride.

Molecular Properties

Compound Name2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride
PubChem CID175194963
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride
SMILESCC[N+]1(CCO)C=CN(C)C1.[Cl-]
InChIInChI=1S/C8H17N2O.ClH/c1-3-10(6-7-11)5-4-9(2)8-10;/h4-5,11H,3,6-8H2,1-2H3;1H/q+1;/p-1
InChIKeyYBHBAMZDOHQULI-UHFFFAOYSA-M
XLogP-2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 5-2.81
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

3-Hydroxyethyl-1-vinylimidazole
CID 57070894
1-(2-Hydroxyethyl)-3-methylimidazole
CID 57351561
1-(2-Hydroxyethyl)-3-methylimidazole-2-selone
CID 102443916
2-(3-butyl-2H-imidazol-1-yl)ethanol
CID 52911375
2-[3-(2-hydroxyethyl)-2H-imidazol-1-yl]ethanol
CID 57832174
2-[3-[[3-(2-hydroxyethyl)-2H-imidazol-1-yl]methyl]-2H-imidazol-1-yl]ethanol
CID 58221260
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol
CID 58841196
1-(2-methoxyethyl)-2,3-dimethyl-2H-imidazole
CID 66681199
2-(2,3-dimethyl-2H-imidazol-1-yl)ethanol
CID 66763798
1-(3-methyl-2H-imidazol-1-yl)ethanol
CID 67490847
2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol
CID 68419011
1,3-diethyl-2-(methoxymethyl)-2H-imidazole
CID 68649597

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride?
The IUPAC name of 2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride (CID 175194963) is 2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride.
What is the SMILES notation for 2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride?
The canonical SMILES for 2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride is CC[N+]1(CCO)C=CN(C)C1.[Cl-].
What is the InChIKey of 2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride?
The InChIKey is YBHBAMZDOHQULI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17N2O.ClH/c1-3-10(6-7-11)5-4-9(2)8-10;/h4-5,11H,3,6-8H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride?
2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride has a molecular weight of 192.69 g/mol, XLogP of -2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride is sourced from PubChem (CID 175194963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).