N-[3-(1-methyl-1H-1,3-benzodiazol-2-yl)propyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 719979
• Molecular Formular: C22H23N5O
• Molecular Mass: 373.45092
• Monoisotopic Mass: 373.19026038
• SMILES: n1c(n(c2c1cccc2)C)CCCNC(=O)Cn1c(ncc1)c1ccccc1
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCCCc1nc2c(n1C)cccc2
• InChI: InChI=1S/C22H23N5O/c1-26-19-11-6-5-10-18(19)25-20(26)12-7-13-23-21(28)16-27-15-14-24-22(27)17-8-3-2-4-9-17/h2-6,8-11,14-15H,7,12-13,16H2,1H3,(H,23,28)
• InChIKey: IYZNCBFECRRYLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1-methyl-1H-1,3-benzodiazol-2-yl)propyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-[3-(1-methyl-1,3-benzodiazol-2-yl)propyl]-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-[3-(1-methyl-1H-benzimidazol-2-yl)propyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.525504
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0845952
• LogD (pH = 7.4): 2.8095627
• Log P: 2.8311865
• Molar Refractivity: 119.0158 cm^3
• Polarizability: 43.529896 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.67
• LOG S: -4.2
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 7