N-[3-(1H-indazol-1-yl)propyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 578496
• Molecular Formular: C21H21N5O
• Molecular Mass: 359.42434
• Monoisotopic Mass: 359.17461032
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NCCCn1ncc2c1cccc2
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCCCn1ncc2c1cccc2
• InChI: InChI=1S/C21H21N5O/c27-20(16-25-14-12-23-21(25)17-7-2-1-3-8-17)22-11-6-13-26-19-10-5-4-9-18(19)15-24-26/h1-5,7-10,12,14-15H,6,11,13,16H2,(H,22,27)
• InChIKey: DRPMJCQKUJBKAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.457048
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7439555
• LogD (pH = 7.4): 2.2876709
• Log P: 2.3063574
• Molar Refractivity: 126.0001 cm^3
• Polarizability: 41.762257 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: 2.51
• LOG S: -3.96
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 7