2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride

C12H17ClN2O — CID 54609781

IUPAC2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride
SMILESCl.OCCN1CCN=C1Cc1ccccc1
InChIInChI=1S/C12H16N2O.ClH/c15-9-8-14-7-6-13-12(14)10-11-4-2-1-3-5-11;/h1-5,15H,6-10H2;1H
InChIKeyBYCOTWWGNHDORM-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.36
Rot. Bonds4

About 2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride

2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride (PubChem CID 54609781) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride
PubChem CID54609781
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride
SMILESCl.OCCN1CCN=C1Cc1ccccc1
InChIInChI=1S/C12H16N2O.ClH/c15-9-8-14-7-6-13-12(14)10-11-4-2-1-3-5-11;/h1-5,15H,6-10H2;1H
InChIKeyBYCOTWWGNHDORM-UHFFFAOYSA-N
XLogP1.36
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride 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-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride?
The IUPAC name of 2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride (CID 54609781) is 2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride is Cl.OCCN1CCN=C1Cc1ccccc1.
What is the InChIKey of 2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride?
The InChIKey is BYCOTWWGNHDORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c15-9-8-14-7-6-13-12(14)10-11-4-2-1-3-5-11;/h1-5,15H,6-10H2;1H.
What are the key properties of 2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride?
2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4,5-dihydroimidazol-1-yl)ethanol;hydrochloride is sourced from PubChem (CID 54609781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).