2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol

C6H12N2O — CID 14671025

IUPAC2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol
SMILESCC1NC=CN1CCO
InChIInChI=1S/C6H12N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,6-7,9H,4-5H2,1H3
InChIKeyAWTVWIRNMDFUJH-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.30
Rot. Bonds2

About 2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol

2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol (PubChem CID 14671025) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol
PubChem CID14671025
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol
SMILESCC1NC=CN1CCO
InChIInChI=1S/C6H12N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,6-7,9H,4-5H2,1H3
InChIKeyAWTVWIRNMDFUJH-UHFFFAOYSA-N
XLogP-0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol?
The IUPAC name of 2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol (CID 14671025) is 2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol is CC1NC=CN1CCO.
What is the InChIKey of 2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol?
The InChIKey is AWTVWIRNMDFUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of 2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol?
2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol has a molecular weight of 128.17 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2-dihydroimidazol-3-yl)ethanol is sourced from PubChem (CID 14671025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).