4-{4-phenyl-1-[1-(pyridin-4-yl)propan-2-yl]-1H-imidazol-5-yl}-2-(propan-2-yl)pyrimidine

• ChemBase ID: 816879
• Molecular Formular: C24H25N5
• Molecular Mass: 383.4888
• Monoisotopic Mass: 383.21099583
• SMILES: c1(n(cnc1c1ccccc1)C(Cc1ccncc1)C)c1nc(ncc1)C(C)C
• Canonical SMILES: CC(c1nccc(n1)c1n(cnc1c1ccccc1)C(Cc1ccncc1)C)C
• InChI: InChI=1S/C24H25N5/c1-17(2)24-26-14-11-21(28-24)23-22(20-7-5-4-6-8-20)27-16-29(23)18(3)15-19-9-12-25-13-10-19/h4-14,16-18H,15H2,1-3H3
• InChIKey: IRHQSDUXPHCVLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{4-phenyl-1-[1-(pyridin-4-yl)propan-2-yl]-1H-imidazol-5-yl}-2-(propan-2-yl)pyrimidine
• IUPAC Traditional name: 2-isopropyl-4-{5-phenyl-3-[1-(pyridin-4-yl)propan-2-yl]imidazol-4-yl}pyrimidine
• Synonyms: 2-isopropyl-4-[1-(1-methyl-2-pyridin-4-ylethyl)-4-phenyl-1H-imidazol-5-yl]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.611893
• LogD (pH = 7.4): 4.925162
• Log P: 4.930782
• Molar Refractivity: 115.435 cm^3
• Polarizability: 46.88292 Å^3
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.26
• LOG S: -4.33
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 6