5-[1-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-2-yl]-2-(pyridin-2-yl)pyrimidine

• ChemBase ID: 722548
• Molecular Formular: C21H17N5
• Molecular Mass: 339.39318
• Monoisotopic Mass: 339.14839557
• SMILES: n1(c(c2cnc(nc2)c2ncccc2)ncc1)C1Cc2c(C1)cccc2
• Canonical SMILES: c1ccc(nc1)c1ncc(cn1)c1nccn1C1Cc2c(C1)cccc2
• InChI: InChI=1S/C21H17N5/c1-2-6-16-12-18(11-15(16)5-1)26-10-9-23-21(26)17-13-24-20(25-14-17)19-7-3-4-8-22-19/h1-10,13-14,18H,11-12H2
• InChIKey: PVXYGLRDUFCKGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-2-yl]-2-(pyridin-2-yl)pyrimidine
• IUPAC Traditional name: 5-[1-(2,3-dihydro-1H-inden-2-yl)imidazol-2-yl]-2-(pyridin-2-yl)pyrimidine
• Synonyms: 5-[1-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-2-yl]-2-pyridin-2-ylpyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.406099
• LogD (pH = 7.4): 3.7671483
• Log P: 3.7751498
• Molar Refractivity: 120.905 cm^3
• Polarizability: 39.2052 Å^3
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.83
• LOG S: -4.09
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 3