N-{2-[5-(1-ethyl-1H-pyrazol-4-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}-N-methylmethanesulfonamide

• ChemBase ID: 496262
• Molecular Formular: C18H23N5O2S
• Molecular Mass: 373.47252
• Monoisotopic Mass: 373.157246
• SMILES: c1(c2c(ncn2CCN(S(=O)(=O)C)C)c2ccccc2)cn(nc1)CC
• Canonical SMILES: CCn1ncc(c1)c1n(CCN(S(=O)(=O)C)C)cnc1c1ccccc1
• InChI: InChI=1S/C18H23N5O2S/c1-4-23-13-16(12-20-23)18-17(15-8-6-5-7-9-15)19-14-22(18)11-10-21(2)26(3,24)25/h5-9,12-14H,4,10-11H2,1-3H3
• InChIKey: IBOHIJAEHVDSIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[5-(1-ethyl-1H-pyrazol-4-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}-N-methylmethanesulfonamide
• IUPAC Traditional name: N-{2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl}-N-methylmethanesulfonamide
• Synonyms: N-{2-[5-(1-ethyl-1H-pyrazol-4-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}-N-methylmethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0692445
• LogD (pH = 7.4): 1.2019442
• Log P: 1.2039998
• Molar Refractivity: 113.2307 cm^3
• Polarizability: 42.129665 Å^3
• Polar Surface Area: 73.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.33
• LOG S: -4.77
• Polar Surface Area: 73.02 Å^2
• Rotatable Bonds: 6