3-[5-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-1-yl]propanamide

• ChemBase ID: 509872
• Molecular Formular: C18H15Cl2N3O
• Molecular Mass: 360.2372
• Monoisotopic Mass: 359.05921748
• SMILES: c1(c(ncn1CCC(=O)N)c1ccccc1)c1c(cc(cc1)Cl)Cl
• Canonical SMILES: NC(=O)CCn1cnc(c1c1ccc(cc1Cl)Cl)c1ccccc1
• InChI: InChI=1S/C18H15Cl2N3O/c19-13-6-7-14(15(20)10-13)18-17(12-4-2-1-3-5-12)22-11-23(18)9-8-16(21)24/h1-7,10-11H,8-9H2,(H2,21,24)
• InChIKey: ORYQJPPHPDISEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: 3-[5-(2,4-dichlorophenyl)-4-phenylimidazol-1-yl]propanamide
• Synonyms: 3-[5-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.016418
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6123276
• LogD (pH = 7.4): 3.7919009
• Log P: 3.7948968
• Molar Refractivity: 95.9032 cm^3
• Polarizability: 39.511047 Å^3
• Polar Surface Area: 60.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.67
• LOG S: -4.96
• Polar Surface Area: 60.91 Å^2
• Rotatable Bonds: 5