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

C6H13N2O+ — CID 71337137

IUPAC2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
SMILESC[N+]1(CCO)C=NCC1
InChIInChI=1S/C6H13N2O/c1-8(4-5-9)3-2-7-6-8/h6,9H,2-5H2,1H3/q+1
InChIKeyAERBHQYSUWNIDS-UHFFFAOYSA-N
MW129.18 g/mol
LogP-0.53
Rot. Bonds2

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

2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol (PubChem CID 71337137) has the molecular formula C6H13N2O+ and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
PubChem CID71337137
Molecular FormulaC6H13N2O+
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
SMILESC[N+]1(CCO)C=NCC1
InChIInChI=1S/C6H13N2O/c1-8(4-5-9)3-2-7-6-8/h6,9H,2-5H2,1H3/q+1
InChIKeyAERBHQYSUWNIDS-UHFFFAOYSA-N
XLogP-0.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 5-0.53
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

Cocoyl hydroxyethyl imidazoline
CID 155133
2-(2-Methyl-2-imidazolin-1-yl)ethanol
CID 69669
1-(2-Methoxyethyl)-4,5-dihydroimidazole
CID 11629606
2-(3-Butyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
CID 134851305
2-(3-Tert-butyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
CID 134862840
1-(4-Methyl-4,5-dihydroimidazol-1-yl)propan-2-ol
CID 433368
(1-Methyl-4,5-dihydro-1H-imidazol-2-yl)methanol
CID 13144026
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-(4,5-Dihydroimidazol-1-yl)propan-1-ol
CID 19961313
1-(2-Methyl-4,5-dihydroimidazol-1-yl)ethanol
CID 20159204

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol?
The IUPAC name of 2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol (CID 71337137) is 2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol.
What is the SMILES notation for 2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol?
The canonical SMILES for 2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol is C[N+]1(CCO)C=NCC1.
What is the InChIKey of 2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol?
The InChIKey is AERBHQYSUWNIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2O/c1-8(4-5-9)3-2-7-6-8/h6,9H,2-5H2,1H3/q+1.
What are the key properties of 2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol?
2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol has a molecular weight of 129.18 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol is sourced from PubChem (CID 71337137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).