2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride

C7H15ClN2O — CID 86017622

IUPAC2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride
SMILESCC[NH+]1C=CN(CCO)C1.[Cl-]
InChIInChI=1S/C7H14N2O.ClH/c1-2-8-3-4-9(7-8)5-6-10;/h3-4,10H,2,5-7H2,1H3;1H
InChIKeyWGWMGZMHQIOPFB-UHFFFAOYSA-N
MW178.66 g/mol
LogP-4.37
Rot. Bonds3

About 2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride

2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride (PubChem CID 86017622) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride.

Molecular Properties

Compound Name2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride
PubChem CID86017622
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride
SMILESCC[NH+]1C=CN(CCO)C1.[Cl-]
InChIInChI=1S/C7H14N2O.ClH/c1-2-8-3-4-9(7-8)5-6-10;/h3-4,10H,2,5-7H2,1H3;1H
InChIKeyWGWMGZMHQIOPFB-UHFFFAOYSA-N
XLogP-4.37
TPSA27.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 5-4.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride?
The IUPAC name of 2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride (CID 86017622) is 2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride.
What is the SMILES notation for 2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride?
The canonical SMILES for 2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride is CC[NH+]1C=CN(CCO)C1.[Cl-].
What is the InChIKey of 2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride?
The InChIKey is WGWMGZMHQIOPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-2-8-3-4-9(7-8)5-6-10;/h3-4,10H,2,5-7H2,1H3;1H.
What are the key properties of 2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride?
2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride has a molecular weight of 178.66 g/mol, XLogP of -4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-1,2-dihydroimidazol-1-ium-3-yl)ethanol chloride is sourced from PubChem (CID 86017622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).