2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol

C6H12N2O — CID 22756046

IUPAC2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol
SMILESCN1CCN=C1CCO
InChIInChI=1S/C6H12N2O/c1-8-4-3-7-6(8)2-5-9/h9H,2-5H2,1H3
InChIKeyXFEMNTYVRZXDTN-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.29
Rot. Bonds2

About 2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol

2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol (PubChem CID 22756046) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol
PubChem CID22756046
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol
SMILESCN1CCN=C1CCO
InChIInChI=1S/C6H12N2O/c1-8-4-3-7-6(8)2-5-9/h9H,2-5H2,1H3
InChIKeyXFEMNTYVRZXDTN-UHFFFAOYSA-N
XLogP-0.29
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol?
The IUPAC name of 2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol (CID 22756046) is 2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol?
The canonical SMILES for 2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol is CN1CCN=C1CCO.
What is the InChIKey of 2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol?
The InChIKey is XFEMNTYVRZXDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8-4-3-7-6(8)2-5-9/h9H,2-5H2,1H3.
What are the key properties of 2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol?
2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol has a molecular weight of 128.17 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4,5-dihydroimidazol-2-yl)ethanol is sourced from PubChem (CID 22756046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).