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

C8H17N2O2+ — CID 20645984

IUPAC2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol
SMILESCC1=NCC[N+]1(CCO)CCO
InChIInChI=1S/C8H17N2O2/c1-8-9-2-3-10(8,4-6-11)5-7-12/h11-12H,2-7H2,1H3/q+1
InChIKeyCHPSFPBWTJDEFZ-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.78
Rot. Bonds4

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

2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol (PubChem CID 20645984) has the molecular formula C8H17N2O2+ and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol
PubChem CID20645984
Molecular FormulaC8H17N2O2+
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC Name2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol
SMILESCC1=NCC[N+]1(CCO)CCO
InChIInChI=1S/C8H17N2O2/c1-8-9-2-3-10(8,4-6-11)5-7-12/h11-12H,2-7H2,1H3/q+1
InChIKeyCHPSFPBWTJDEFZ-UHFFFAOYSA-N
XLogP-0.78
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.78
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol?
The IUPAC name of 2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol (CID 20645984) is 2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol is CC1=NCC[N+]1(CCO)CCO.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol?
The InChIKey is CHPSFPBWTJDEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O2/c1-8-9-2-3-10(8,4-6-11)5-7-12/h11-12H,2-7H2,1H3/q+1.
What are the key properties of 2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol?
2-[1-(2-hydroxyethyl)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol has a molecular weight of 173.24 g/mol, XLogP of -0.78, 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)-2-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol is sourced from PubChem (CID 20645984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).