2-chloro-4-(2-{2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-imidazol-4-yl}ethynyl)pyridine

• ChemBase ID: 126751
• Molecular Formular: C19H13ClF3N3O
• Molecular Mass: 391.7742296
• Monoisotopic Mass: 391.06992439
• SMILES: FC(F)(F)Oc1ccc(n2c(c(C#Cc3ccnc(Cl)c3)nc2C)C)cc1
• Canonical SMILES: Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C
• InChI: InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3
• InChIKey: GOHCTCOGYKAJLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(2-{2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-imidazol-4-yl}ethynyl)pyridine
• IUPAC Traditional name: CTEP
• Synonyms: CTEP

Database IDs

• CAS Number: 871362-31-1
• PubChem SID: 162221079
• PubChem CID: 11646823
• Chemspider ID: 9821562
• Wikipedia Title: CTEP

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.3319645
• LogD (pH = 7.4): 5.5987678
• Log P: 5.603617
• Molar Refractivity: 97.8409 cm^3
• Polarizability: 35.90087 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Target: GluR

Product Information

• Salt Data: Free Base