2-(5-methylimidazol-1-yl)ethanol

C6H10N2O — CID 11557283

IUPAC2-(5-methylimidazol-1-yl)ethanol
SMILESCc1cncn1CCO
InChIInChI=1S/C6H10N2O/c1-6-4-7-5-8(6)2-3-9/h4-5,9H,2-3H2,1H3
InChIKeyBRXYUTQYDMPEGK-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.18
Rot. Bonds2

About 2-(5-methylimidazol-1-yl)ethanol

2-(5-methylimidazol-1-yl)ethanol (PubChem CID 11557283) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(5-methylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-methylimidazol-1-yl)ethanol
PubChem CID11557283
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-(5-methylimidazol-1-yl)ethanol
SMILESCc1cncn1CCO
InChIInChI=1S/C6H10N2O/c1-6-4-7-5-8(6)2-3-9/h4-5,9H,2-3H2,1H3
InChIKeyBRXYUTQYDMPEGK-UHFFFAOYSA-N
XLogP0.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylimidazol-1-yl)ethanol?
The IUPAC name of 2-(5-methylimidazol-1-yl)ethanol (CID 11557283) is 2-(5-methylimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-methylimidazol-1-yl)ethanol?
The canonical SMILES for 2-(5-methylimidazol-1-yl)ethanol is Cc1cncn1CCO.
What is the InChIKey of 2-(5-methylimidazol-1-yl)ethanol?
The InChIKey is BRXYUTQYDMPEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6-4-7-5-8(6)2-3-9/h4-5,9H,2-3H2,1H3.
What are the key properties of 2-(5-methylimidazol-1-yl)ethanol?
2-(5-methylimidazol-1-yl)ethanol has a molecular weight of 126.16 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylimidazol-1-yl)ethanol is sourced from PubChem (CID 11557283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).