(2R)-2-{4-phenyl-5-[3-(1H-pyrazol-1-ylmethyl)phenyl]-1H-imidazol-1-yl}propanamide

• ChemBase ID: 764745
• Molecular Formular: C22H21N5O
• Molecular Mass: 371.43504
• Monoisotopic Mass: 371.17461032
• SMILES: n1(c(c(nc1)c1ccccc1)c1cc(Cn2nccc2)ccc1)[C@@H](C(=O)N)C
• Canonical SMILES: NC(=O)[C@H](n1cnc(c1c1cccc(c1)Cn1cccn1)c1ccccc1)C
• InChI: InChI=1S/C22H21N5O/c1-16(22(23)28)27-15-24-20(18-8-3-2-4-9-18)21(27)19-10-5-7-17(13-19)14-26-12-6-11-25-26/h2-13,15-16H,14H2,1H3,(H2,23,28)/t16-/m1/s1
• InChIKey: IDOWLDCHFYPVQO-MRXNPFEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-{4-phenyl-5-[3-(1H-pyrazol-1-ylmethyl)phenyl]-1H-imidazol-1-yl}propanamide
• IUPAC Traditional name: (2R)-2-{4-phenyl-5-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl}propanamide
• Synonyms: (2R)-2-{4-phenyl-5-[3-(1H-pyrazol-1-ylmethyl)phenyl]-1H-imidazol-1-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.017563
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.859383
• LogD (pH = 7.4): 3.0672603
• Log P: 3.070892
• Molar Refractivity: 119.6041 cm^3
• Polarizability: 43.99261 Å^3
• Polar Surface Area: 78.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.42
• LOG S: -3.98
• Polar Surface Area: 78.73 Å^2
• Rotatable Bonds: 6