2-(4-chlorophenyl)-5-{1-[1-(1,3-thiazol-2-yl)ethyl]-1H-imidazol-2-yl}pyrimidine

• ChemBase ID: 534329
• Molecular Formular: C18H14ClN5S
• Molecular Mass: 367.85526
• Monoisotopic Mass: 367.06584415
• SMILES: n1(c(c2cnc(nc2)c2ccc(cc2)Cl)ncc1)C(c1nccs1)C
• Canonical SMILES: Clc1ccc(cc1)c1ncc(cn1)c1nccn1C(c1nccs1)C
• InChI: InChI=1S/C18H14ClN5S/c1-12(18-21-7-9-25-18)24-8-6-20-17(24)14-10-22-16(23-11-14)13-2-4-15(19)5-3-13/h2-12H,1H3
• InChIKey: BZMWHSVQXPNBHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-5-{1-[1-(1,3-thiazol-2-yl)ethyl]-1H-imidazol-2-yl}pyrimidine
• IUPAC Traditional name: 2-(4-chlorophenyl)-5-{1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl}pyrimidine
• Synonyms: 2-(4-chlorophenyl)-5-{1-[1-(1,3-thiazol-2-yl)ethyl]-1H-imidazol-2-yl}pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7368445
• LogD (pH = 7.4): 4.0865746
• Log P: 4.094152
• Molar Refractivity: 119.5332 cm^3
• Polarizability: 38.735306 Å^3
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.73
• LOG S: -5.07
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 4