1-(3-methyl-2H-imidazol-1-yl)ethanol

C6H12N2O — CID 67490847

IUPAC1-(3-methyl-2H-imidazol-1-yl)ethanol
SMILESCC(O)N1C=CN(C)C1
InChIInChI=1S/C6H12N2O/c1-6(9)8-4-3-7(2)5-8/h3-4,6,9H,5H2,1-2H3
InChIKeyXZLATISZGVIMOI-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.00
Rot. Bonds1

About 1-(3-methyl-2H-imidazol-1-yl)ethanol

1-(3-methyl-2H-imidazol-1-yl)ethanol (PubChem CID 67490847) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(3-methyl-2H-imidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-methyl-2H-imidazol-1-yl)ethanol
PubChem CID67490847
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-(3-methyl-2H-imidazol-1-yl)ethanol
SMILESCC(O)N1C=CN(C)C1
InChIInChI=1S/C6H12N2O/c1-6(9)8-4-3-7(2)5-8/h3-4,6,9H,5H2,1-2H3
InChIKeyXZLATISZGVIMOI-UHFFFAOYSA-N
XLogP0.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2H-imidazol-1-yl)ethanol?
The IUPAC name of 1-(3-methyl-2H-imidazol-1-yl)ethanol (CID 67490847) is 1-(3-methyl-2H-imidazol-1-yl)ethanol.
What is the SMILES notation for 1-(3-methyl-2H-imidazol-1-yl)ethanol?
The canonical SMILES for 1-(3-methyl-2H-imidazol-1-yl)ethanol is CC(O)N1C=CN(C)C1.
What is the InChIKey of 1-(3-methyl-2H-imidazol-1-yl)ethanol?
The InChIKey is XZLATISZGVIMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(9)8-4-3-7(2)5-8/h3-4,6,9H,5H2,1-2H3.
What are the key properties of 1-(3-methyl-2H-imidazol-1-yl)ethanol?
1-(3-methyl-2H-imidazol-1-yl)ethanol has a molecular weight of 128.17 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2H-imidazol-1-yl)ethanol is sourced from PubChem (CID 67490847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).