CAS 24155-42-8|1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol|1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol|1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol|1-[2-(2,4-Dichlorophenyl)-2...

General Information

Structure

Molecular Formula

C₁₁H₁₀Cl₂N₂O

Molecular Mass

257.1159

Exact Mass

256.01701831

Charge

InChI

InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2

InChIKey

UKVLTPAGJIYSGN-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(c(c1)Cl)C(Cn1cncc1)O

Isomeric Smiles

n1cn(cc1)CC(c1ccc(cc1Cl)Cl)O

Calculated Properties

JChem

Acid pKa

13.763126

H Acceptors

H Donor

LogD (pH = 5.5)

1.8504659

LogD (pH = 7.4)

2.3149612

Log P

2.3806794

Molar Refractivity

64.0942

Polarizability

24.74626

Polar Surface Area

38.05

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol

Synonyms

1-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]-1H-imidazole1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanolrac-1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol(+/-)-α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanolα-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethanol

IUPAC name

1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number