2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride

C12H17ClN2O — CID 71392562

IUPAC2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride
SMILESOCC[NH+]1C=CN(Cc2ccccc2)C1.[Cl-]
InChIInChI=1S/C12H16N2O.ClH/c15-9-8-13-6-7-14(11-13)10-12-4-2-1-3-5-12;/h1-7,15H,8-11H2;1H
InChIKeyURKUPYBZTYANSO-UHFFFAOYSA-N
MW240.73 g/mol
LogP-3.19
Rot. Bonds4

About 2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride

2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride (PubChem CID 71392562) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride.

Molecular Properties

Compound Name2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride
PubChem CID71392562
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride
SMILESOCC[NH+]1C=CN(Cc2ccccc2)C1.[Cl-]
InChIInChI=1S/C12H16N2O.ClH/c15-9-8-13-6-7-14(11-13)10-12-4-2-1-3-5-12;/h1-7,15H,8-11H2;1H
InChIKeyURKUPYBZTYANSO-UHFFFAOYSA-N
XLogP-3.19
TPSA27.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 5-3.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1,2-dihydroimidazole
CID 67392024
1-benzyl-3-methyl-2H-imidazole
CID 18674614
1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride
CID 54576759
1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride
CID 67523509
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole
CID 58478707
1-benzyl-3-methyl-2,3-dihydropyrrole
CID 152546116
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide
CID 162319064
1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
CID 174997401
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-2H-pyridine-3-carboxylic acid
CID 18410440
1-benzyl-2,4-dihydropyridin-3-one
CID 19761155
1-benzyl-2H-pyridine-4-carboxamide
CID 13227960

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride?
The IUPAC name of 2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride (CID 71392562) is 2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride.
What is the SMILES notation for 2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride?
The canonical SMILES for 2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride is OCC[NH+]1C=CN(Cc2ccccc2)C1.[Cl-].
What is the InChIKey of 2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride?
The InChIKey is URKUPYBZTYANSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c15-9-8-13-6-7-14(11-13)10-12-4-2-1-3-5-12;/h1-7,15H,8-11H2;1H.
What are the key properties of 2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride?
2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride has a molecular weight of 240.73 g/mol, XLogP of -3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride is sourced from PubChem (CID 71392562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).