1-(5-methylimidazol-1-yl)ethanol

C6H10N2O — CID 54140631

IUPAC1-(5-methylimidazol-1-yl)ethanol
SMILESCc1cncn1C(C)O
InChIInChI=1S/C6H10N2O/c1-5-3-7-4-8(5)6(2)9/h3-4,6,9H,1-2H3
InChIKeyOAVTZTFOHQXEBG-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.70
Rot. Bonds1

About 1-(5-methylimidazol-1-yl)ethanol

1-(5-methylimidazol-1-yl)ethanol (PubChem CID 54140631) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(5-methylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(5-methylimidazol-1-yl)ethanol
PubChem CID54140631
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(5-methylimidazol-1-yl)ethanol
SMILESCc1cncn1C(C)O
InChIInChI=1S/C6H10N2O/c1-5-3-7-4-8(5)6(2)9/h3-4,6,9H,1-2H3
InChIKeyOAVTZTFOHQXEBG-UHFFFAOYSA-N
XLogP0.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylimidazol-1-yl)ethanol?
The IUPAC name of 1-(5-methylimidazol-1-yl)ethanol (CID 54140631) is 1-(5-methylimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(5-methylimidazol-1-yl)ethanol?
The canonical SMILES for 1-(5-methylimidazol-1-yl)ethanol is Cc1cncn1C(C)O.
What is the InChIKey of 1-(5-methylimidazol-1-yl)ethanol?
The InChIKey is OAVTZTFOHQXEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-3-7-4-8(5)6(2)9/h3-4,6,9H,1-2H3.
What are the key properties of 1-(5-methylimidazol-1-yl)ethanol?
1-(5-methylimidazol-1-yl)ethanol has a molecular weight of 126.16 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylimidazol-1-yl)ethanol is sourced from PubChem (CID 54140631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).