1-(1-methylimidazol-4-yl)ethanol

C6H10N2O — CID 12519699

IUPAC1-(1-methylimidazol-4-yl)ethanol
SMILESCC(O)c1cn(C)cn1
InChIInChI=1S/C6H10N2O/c1-5(9)6-3-8(2)4-7-6/h3-5,9H,1-2H3
InChIKeyQGZWNTJKBUPORC-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.47
Rot. Bonds1

About 1-(1-methylimidazol-4-yl)ethanol

1-(1-methylimidazol-4-yl)ethanol (PubChem CID 12519699) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)ethanol
PubChem CID12519699
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(1-methylimidazol-4-yl)ethanol
SMILESCC(O)c1cn(C)cn1
InChIInChI=1S/C6H10N2O/c1-5(9)6-3-8(2)4-7-6/h3-5,9H,1-2H3
InChIKeyQGZWNTJKBUPORC-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)ethanol?
The IUPAC name of 1-(1-methylimidazol-4-yl)ethanol (CID 12519699) is 1-(1-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)ethanol?
The canonical SMILES for 1-(1-methylimidazol-4-yl)ethanol is CC(O)c1cn(C)cn1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)ethanol?
The InChIKey is QGZWNTJKBUPORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(9)6-3-8(2)4-7-6/h3-5,9H,1-2H3.
What are the key properties of 1-(1-methylimidazol-4-yl)ethanol?
1-(1-methylimidazol-4-yl)ethanol has a molecular weight of 126.16 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 12519699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).