1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

Anisoles

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenol ethers

Calculated Property

kind Value Source
logP 4.48 ALOGPS
logS -4.3 ALOGPS
Water Solubility 1.66e-02 g/l ALOGPS
logP 3.64 ChemAxon
IUPAC Name 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]-1H-imidazole ChemAxon
Traditional IUPAC Name 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole ChemAxon
Molecular Weight 308.803 ChemAxon
Monoisotopic Weight 308.129155633 ChemAxon
SMILES COC1=CC(Cl)=C(OCCCCCCN2C=CN=C2)C=C1 ChemAxon
Molecular Formula C16H21ClN2O2 ChemAxon
InChI InChI=1S/C16H21ClN2O2/c1-20-14-6-7-16(15(17)12-14)21-11-5-3-2-4-9-19-10-8-18-13-19/h6-8,10,12-13H,2-5,9,11H2,1H3 ChemAxon
InChIKey InChIKey=UKVVEWLDHJDSNJ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 36.28 ChemAxon
Refractivity 84.44 ChemAxon
Polarizability 33.99 ChemAxon
Rotatable Bond Count 9 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 6.79 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Genome polyprotein : in HRV-14