2-phenyl-3-({2-phenylimidazo[1,2-a]pyridin-3-yl}disulfanyl)imidazo[1,2-a]pyridine

• ChemBase ID: 85181
• Molecular Formular: C26H18N4S2
• Molecular Mass: 450.57792
• Monoisotopic Mass: 450.0972886
• SMILES: n12c(c(c3ccccc3)nc1cccc2)SSc1c(c2ccccc2)nc2n1cccc2
• Canonical SMILES: c1ccc(cc1)c1nc2n(c1SSc1c(nc3n1cccc3)c1ccccc1)cccc2
• InChI: InChI=1S/C26H18N4S2/c1-3-11-19(12-4-1)23-25(29-17-9-7-15-21(29)27-23)31-32-26-24(20-13-5-2-6-14-20)28-22-16-8-10-18-30(22)26/h1-18H
• InChIKey: FGUOSEBBFNNWQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-3-({2-phenylimidazo[1,2-a]pyridin-3-yl}disulfanyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-phenyl-3-({2-phenylimidazo[1,2-a]pyridin-3-yl}disulfanyl)imidazo[1,2-a]pyridine
• Synonyms: di(2-phenylimidazo[1,2-a]pyridin-3-yl) disulphide

Database IDs

• MDL Number: MFCD00546786
• PubChem SID: 162072297
• PubChem CID: 2795197

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.324183
• LogD (pH = 7.4): 6.390208
• Log P: 6.3910856
• Molar Refractivity: 130.252 cm^3
• Polarizability: 54.022945 Å^3
• Polar Surface Area: 34.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false