[1-methyl-2-({2-[3-(trifluoromethyl)phenoxy]ethyl}sulfanyl)-1H-imidazol-5-yl]methanol|5-(Hydroxymethyl)-1-methyl-2-({2-[3-(trifluoromethyl)phenoxy]ethyl}sulphanyl)-1H-imidazole|[3-methyl-2-({2-[3-(t...

General Information

Structure

Molecular Formula

C₁₄H₁₅F₃N₂O₂S

Molecular Mass

332.3413096

Exact Mass

332.08063339

Charge

InChI

InChI=1S/C14H15F3N2O2S/c1-19-11(9-20)8-18-13(19)22-6-5-21-12-4-2-3-10(7-12)14(15,16)17/h2-4,7-8,20H,5-6,9H2,1H3

InChIKey

JHIITJAKWTUWPX-UHFFFAOYSA-N

Canonic Smiles

OCc1cnc(n1C)SCCOc1cccc(c1)C(F)(F)F

Isomeric Smiles

n1c(SCCOc2cccc(c2)C(F)(F)F)n(c(c1)CO)C

Calculated Properties

JChem

Acid pKa

14.425775

H Acceptors

H Donor

LogD (pH = 5.5)

2.7386012

LogD (pH = 7.4)

2.804855

Log P

2.805783

Molar Refractivity

79.5642

Polarizability

29.538465

Polar Surface Area

47.28

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

[1-methyl-2-({2-[3-(trifluoromethyl)phenoxy]ethyl}sulfanyl)-1H-imidazol-5-yl]methanol

Synonyms

5-(Hydroxymethyl)-1-methyl-2-({2-[3-(trifluoromethyl)phenoxy]ethyl}sulphanyl)-1H-imidazole[1-Methyl-2-({2-[3-(trifluoromethyl)phenoxy]ethyl}thio)-1H-imidazol-5-yl]methanol 97%3-(2-{[5-(Hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulphanyl}ethoxy)benzotrifluoride

IUPAC Traditional name

[3-methyl-2-({2-[3-(trifluoromethyl)phenoxy]ethyl}sulfanyl)imidazol-4-yl]methanol

Names and Identifiers

Registration numbers

MDL Number

MFCD00215157

PubChem SID

162086578

PubChem CID

2775653

Registration numbers

Properties