1-ethoxy-4,5-dihydroimidazole;hydrochloride

C5H11ClN2O — CID 172779850

IUPAC1-ethoxy-4,5-dihydroimidazole;hydrochloride
SMILESCCON1C=NCC1.Cl
InChIInChI=1S/C5H10N2O.ClH/c1-2-8-7-4-3-6-5-7;/h5H,2-4H2,1H3;1H
InChIKeyOCNMNFAIIODKQI-UHFFFAOYSA-N
MW150.61 g/mol
LogP0.70
Rot. Bonds2

About 1-ethoxy-4,5-dihydroimidazole;hydrochloride

1-ethoxy-4,5-dihydroimidazole;hydrochloride (PubChem CID 172779850) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is 1-ethoxy-4,5-dihydroimidazole;hydrochloride.

Molecular Properties

Compound Name1-ethoxy-4,5-dihydroimidazole;hydrochloride
PubChem CID172779850
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name1-ethoxy-4,5-dihydroimidazole;hydrochloride
SMILESCCON1C=NCC1.Cl
InChIInChI=1S/C5H10N2O.ClH/c1-2-8-7-4-3-6-5-7;/h5H,2-4H2,1H3;1H
InChIKeyOCNMNFAIIODKQI-UHFFFAOYSA-N
XLogP0.70
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4,5-dihydroimidazole;hydrochloride?
The IUPAC name of 1-ethoxy-4,5-dihydroimidazole;hydrochloride (CID 172779850) is 1-ethoxy-4,5-dihydroimidazole;hydrochloride.
What is the SMILES notation for 1-ethoxy-4,5-dihydroimidazole;hydrochloride?
The canonical SMILES for 1-ethoxy-4,5-dihydroimidazole;hydrochloride is CCON1C=NCC1.Cl.
What is the InChIKey of 1-ethoxy-4,5-dihydroimidazole;hydrochloride?
The InChIKey is OCNMNFAIIODKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.ClH/c1-2-8-7-4-3-6-5-7;/h5H,2-4H2,1H3;1H.
What are the key properties of 1-ethoxy-4,5-dihydroimidazole;hydrochloride?
1-ethoxy-4,5-dihydroimidazole;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4,5-dihydroimidazole;hydrochloride is sourced from PubChem (CID 172779850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).