2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride

C7H15ClN2O2 — CID 71380826

IUPAC2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride
SMILESOCC[N+]1(CCO)C=NCC1.[Cl-]
InChIInChI=1S/C7H15N2O2.ClH/c10-5-3-9(4-6-11)2-1-8-7-9;/h7,10-11H,1-6H2;1H/q+1;/p-1
InChIKeyBVQSXBJVEVTCEF-UHFFFAOYSA-M
MW194.66 g/mol
LogP-4.17
Rot. Bonds4

About 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride

2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride (PubChem CID 71380826) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride
PubChem CID71380826
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride
SMILESOCC[N+]1(CCO)C=NCC1.[Cl-]
InChIInChI=1S/C7H15N2O2.ClH/c10-5-3-9(4-6-11)2-1-8-7-9;/h7,10-11H,1-6H2;1H/q+1;/p-1
InChIKeyBVQSXBJVEVTCEF-UHFFFAOYSA-M
XLogP-4.17
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 5-4.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cocoyl hydroxyethyl imidazoline
CID 155133
Dimethylol-2-imidazoline
CID 67571671
1-Hydroxyethyl-2-imidazoline
CID 18008153
1-(2-Hydroxyethyl)-2-imidazolinethione
CID 19785378
1,3-Bis(hydroxymethyl)-4,5-dihydroimidazol-1-ium-4,5-diol
CID 20471141
[3-(Hydroxymethyl)-4,5-dihydroimidazol-3-ium-1-yl]methanol
CID 57126320
2-[3-(1-Methoxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol
CID 57173913
2-[3-(2-Hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol
CID 57263135
2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol chloride
CID 57454619
2-(4,5-dihydro-1H-imidazol-3-ium-3-yl)ethanol chloride
CID 66629036
2-(4,5-Dihydroimidazol-1-yl)ethanol;sulfuric acid
CID 69503072
1-(2-Hydroxyethyl)-1-methyl-4,5-dihydro-1H-imidazol-1-ium
CID 71337137

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride?
The IUPAC name of 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride (CID 71380826) is 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride is OCC[N+]1(CCO)C=NCC1.[Cl-].
What is the InChIKey of 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride?
The InChIKey is BVQSXBJVEVTCEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15N2O2.ClH/c10-5-3-9(4-6-11)2-1-8-7-9;/h7,10-11H,1-6H2;1H/q+1;/p-1.
What are the key properties of 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride?
2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride has a molecular weight of 194.66 g/mol, XLogP of -4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride is sourced from PubChem (CID 71380826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).