N-(3,4-dimethylphenyl)-3-[2-(pyridin-4-yl)-1H-imidazol-1-yl]propanamide

• ChemBase ID: 659208
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: c1(n(ccn1)CCC(=O)Nc1cc(c(cc1)C)C)c1ccncc1
• Canonical SMILES: O=C(Nc1ccc(c(c1)C)C)CCn1ccnc1c1ccncc1
• InChI: InChI=1S/C19H20N4O/c1-14-3-4-17(13-15(14)2)22-18(24)7-11-23-12-10-21-19(23)16-5-8-20-9-6-16/h3-6,8-10,12-13H,7,11H2,1-2H3,(H,22,24)
• InChIKey: ZQAHXXJETOYSIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethylphenyl)-3-[2-(pyridin-4-yl)-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: N-(3,4-dimethylphenyl)-3-[2-(pyridin-4-yl)imidazol-1-yl]propanamide
• Synonyms: N-(3,4-dimethylphenyl)-3-(2-pyridin-4-yl-1H-imidazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.500908
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4859443
• LogD (pH = 7.4): 3.0430012
• Log P: 3.0616903
• Molar Refractivity: 105.9979 cm^3
• Polarizability: 36.362988 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.33
• LOG S: -3.53
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 5