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

C7H15N2O2+ — CID 71380827

IUPAC2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol
SMILESOCC[N+]1(CCO)C=NCC1
InChIInChI=1S/C7H15N2O2/c10-5-3-9(4-6-11)2-1-8-7-9/h7,10-11H,1-6H2/q+1
InChIKeyNCRCZHUMRAPCQP-UHFFFAOYSA-N
MW159.21 g/mol
LogP-1.17
Rot. Bonds4

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

2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol (PubChem CID 71380827) has the molecular formula C7H15N2O2+ and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol
PubChem CID71380827
Molecular FormulaC7H15N2O2+
Molecular Weight159.21 g/mol
Exact Mass159.11
IUPAC Name2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol
SMILESOCC[N+]1(CCO)C=NCC1
InChIInChI=1S/C7H15N2O2/c10-5-3-9(4-6-11)2-1-8-7-9/h7,10-11H,1-6H2/q+1
InChIKeyNCRCZHUMRAPCQP-UHFFFAOYSA-N
XLogP-1.17
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-1.17
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
2-(2-Methyl-2-imidazolin-1-yl)ethanol
CID 69669
Dimethylol-2-imidazoline
CID 67571671
2-[2-(4,5-Dihydro-1h-imidazol-1-yl)ethoxy]ethanol
CID 129696358
2-(4,5-dihydro-1H-imidazol-3-ium-3-yl)ethanol
CID 17934160
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
2-(2,3-Dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
CID 22044309
2-(4,5-Dihydroimidazol-1-yl)propan-1-ol
CID 54174149
2-(2-Amino-4,5-dihydroimidazol-1-yl)ethanol
CID 55289015
1,2-Dimethyl-4,5-dihydroimidazol-4-ol
CID 56985555

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol?
The IUPAC name of 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol (CID 71380827) is 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol is OCC[N+]1(CCO)C=NCC1.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol?
The InChIKey is NCRCZHUMRAPCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O2/c10-5-3-9(4-6-11)2-1-8-7-9/h7,10-11H,1-6H2/q+1.
What are the key properties of 2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol?
2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol has a molecular weight of 159.21 g/mol, XLogP of -1.17, 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 is sourced from PubChem (CID 71380827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).