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

C6H12N2O — CID 57351561

IUPAC2-(3-methyl-2H-imidazol-1-yl)ethanol
SMILESCN1C=CN(CCO)C1
InChIInChI=1S/C6H12N2O/c1-7-2-3-8(6-7)4-5-9/h2-3,9H,4-6H2,1H3
InChIKeyBKAFBBWDHTZFSB-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.35
Rot. Bonds2

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

2-(3-methyl-2H-imidazol-1-yl)ethanol (PubChem CID 57351561) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)ethanol
PubChem CID57351561
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)ethanol
SMILESCN1C=CN(CCO)C1
InChIInChI=1S/C6H12N2O/c1-7-2-3-8(6-7)4-5-9/h2-3,9H,4-6H2,1H3
InChIKeyBKAFBBWDHTZFSB-UHFFFAOYSA-N
XLogP-0.35
TPSA26.71 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 ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methyl-2H-imidazol-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)ethanol?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)ethanol (CID 57351561) is 2-(3-methyl-2H-imidazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)ethanol?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)ethanol is CN1C=CN(CCO)C1.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)ethanol?
The InChIKey is BKAFBBWDHTZFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7-2-3-8(6-7)4-5-9/h2-3,9H,4-6H2,1H3.
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)ethanol?
2-(3-methyl-2H-imidazol-1-yl)ethanol has a molecular weight of 128.17 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-imidazol-1-yl)ethanol is sourced from PubChem (CID 57351561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).