1-ethoxy-2-(1H-imidazol-2-yl)ethanol

C7H12N2O2 — CID 166788426

IUPAC1-ethoxy-2-(1H-imidazol-2-yl)ethanol
SMILESCCOC(O)Cc1ncc[nH]1
InChIInChI=1S/C7H12N2O2/c1-2-11-7(10)5-6-8-3-4-9-6/h3-4,7,10H,2,5H2,1H3,(H,8,9)
InChIKeyWOJAYSZVZNHPRV-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.31
Rot. Bonds4

About 1-ethoxy-2-(1H-imidazol-2-yl)ethanol

1-ethoxy-2-(1H-imidazol-2-yl)ethanol (PubChem CID 166788426) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-ethoxy-2-(1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-ethoxy-2-(1H-imidazol-2-yl)ethanol
PubChem CID166788426
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-ethoxy-2-(1H-imidazol-2-yl)ethanol
SMILESCCOC(O)Cc1ncc[nH]1
InChIInChI=1S/C7H12N2O2/c1-2-11-7(10)5-6-8-3-4-9-6/h3-4,7,10H,2,5H2,1H3,(H,8,9)
InChIKeyWOJAYSZVZNHPRV-UHFFFAOYSA-N
XLogP0.31
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-ethoxy-2-(1H-imidazol-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate
CID 18604488
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
2-ethyl-1H-imidazole;methanol
CID 176573862
2-(2-bromopropyl)-1H-imidazole
CID 61096377
1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol
CID 61082232
3-(1H-imidazol-2-yl)-2-propoxypropanal
CID 173264624
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
ethane;2-ethyl-1H-imidazole
CID 144736598
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
CID 106828317
1-cyclobutyl-2-(1H-imidazol-2-yl)ethanol
CID 61083393
2-[2-chloro-3-(3-ethoxycyclobutyl)propyl]-1H-imidazole
CID 103165676

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(1H-imidazol-2-yl)ethanol?
The IUPAC name of 1-ethoxy-2-(1H-imidazol-2-yl)ethanol (CID 166788426) is 1-ethoxy-2-(1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 1-ethoxy-2-(1H-imidazol-2-yl)ethanol?
The canonical SMILES for 1-ethoxy-2-(1H-imidazol-2-yl)ethanol is CCOC(O)Cc1ncc[nH]1.
What is the InChIKey of 1-ethoxy-2-(1H-imidazol-2-yl)ethanol?
The InChIKey is WOJAYSZVZNHPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-11-7(10)5-6-8-3-4-9-6/h3-4,7,10H,2,5H2,1H3,(H,8,9).
What are the key properties of 1-ethoxy-2-(1H-imidazol-2-yl)ethanol?
1-ethoxy-2-(1H-imidazol-2-yl)ethanol has a molecular weight of 156.19 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 166788426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).