methyl[(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methyl][(1-propyl-1H-imidazol-2-yl)methyl]amine

• ChemBase ID: 317630
• Molecular Formular: C18H26N4
• Molecular Mass: 298.42584
• Monoisotopic Mass: 298.21574685
• SMILES: c1(n(ccn1)CCC)CN(Cc1cc2c(CN(C2)C)cc1)C
• Canonical SMILES: CCCn1ccnc1CN(Cc1ccc2c(c1)CN(C2)C)C
• InChI: InChI=1S/C18H26N4/c1-4-8-22-9-7-19-18(22)14-20(2)11-15-5-6-16-12-21(3)13-17(16)10-15/h5-7,9-10H,4,8,11-14H2,1-3H3
• InChIKey: UFFFJUONRJQCQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methyl][(1-propyl-1H-imidazol-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(2-methyl-1,3-dihydroisoindol-5-yl)methyl][(1-propylimidazol-2-yl)methyl]amine
• Synonyms: N-methyl-1-(2-methyl-2,3-dihydro-1H-isoindol-5-yl)-N-[(1-propyl-1H-imidazol-2-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.714545
• LogD (pH = 7.4): 1.8417909
• Log P: 2.3894427
• Molar Refractivity: 92.7617 cm^3
• Polarizability: 35.57023 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.26
• LOG S: -2.3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6