1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride

C5H11ClN2O — CID 173002240

IUPAC1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride
SMILESCC(O)N1C=NCC1.Cl
InChIInChI=1S/C5H10N2O.ClH/c1-5(8)7-3-2-6-4-7;/h4-5,8H,2-3H2,1H3;1H
InChIKeyRSWCNDHTLMKAMG-UHFFFAOYSA-N
MW150.61 g/mol
LogP0.09
Rot. Bonds1

About 1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride

1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride (PubChem CID 173002240) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride
PubChem CID173002240
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride
SMILESCC(O)N1C=NCC1.Cl
InChIInChI=1S/C5H10N2O.ClH/c1-5(8)7-3-2-6-4-7;/h4-5,8H,2-3H2,1H3;1H
InChIKeyRSWCNDHTLMKAMG-UHFFFAOYSA-N
XLogP0.09
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride (CID 173002240) is 1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride is CC(O)N1C=NCC1.Cl.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride?
The InChIKey is RSWCNDHTLMKAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.ClH/c1-5(8)7-3-2-6-4-7;/h4-5,8H,2-3H2,1H3;1H.
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride?
1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-yl)ethanol;hydrochloride is sourced from PubChem (CID 173002240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).