N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-[(2-methylprop-2-en-1-yl)oxy]benzamide

• ChemBase ID: 736956
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: N(C(=O)c1cc(OCC(=C)C)ccc1)(Cc1n(ccn1)C)C1CC1
• Canonical SMILES: CC(=C)COc1cccc(c1)C(=O)N(C1CC1)Cc1nccn1C
• InChI: InChI=1S/C19H23N3O2/c1-14(2)13-24-17-6-4-5-15(11-17)19(23)22(16-7-8-16)12-18-20-9-10-21(18)3/h4-6,9-11,16H,1,7-8,12-13H2,2-3H3
• InChIKey: JDILMBSWPOYPFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-[(2-methylprop-2-en-1-yl)oxy]benzamide
• IUPAC Traditional name: N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-3-[(2-methylprop-2-en-1-yl)oxy]benzamide
• Synonyms: N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-[(2-methylprop-2-en-1-yl)oxy]benzamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9081534
• LogD (pH = 7.4): 2.4389381
• Log P: 2.4565883
• Molar Refractivity: 93.84 cm^3
• Polarizability: 35.763695 Å^3
• Polar Surface Area: 47.36 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0
• Log P: 2.39
• LOG S: -3.61
• Polar Surface Area: 47.36 Å^2