{[2-(1H-1,3-benzodiazol-1-yl)pyridin-3-yl]methyl}[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]amine

• ChemBase ID: 461326
• Molecular Formular: C24H24N4O
• Molecular Mass: 384.47356
• Monoisotopic Mass: 384.19501141
• SMILES: n1(c2c(CNCc3c(cc4c(c3)CCC4)OC)cccn2)cnc2c1cccc2
• Canonical SMILES: COc1cc2CCCc2cc1CNCc1cccnc1n1cnc2c1cccc2
• InChI: InChI=1S/C24H24N4O/c1-29-23-13-18-7-4-6-17(18)12-20(23)15-25-14-19-8-5-11-26-24(19)28-16-27-21-9-2-3-10-22(21)28/h2-3,5,8-13,16,25H,4,6-7,14-15H2,1H3
• InChIKey: FYPPJDCINHENJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(1H-1,3-benzodiazol-1-yl)pyridin-3-yl]methyl}[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]amine
• IUPAC Traditional name: {[2-(1,3-benzodiazol-1-yl)pyridin-3-yl]methyl}[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]amine
• Synonyms: 1-[2-(1H-benzimidazol-1-yl)-3-pyridinyl]-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8104097
• LogD (pH = 7.4): 3.6461
• Log P: 4.6507597
• Molar Refractivity: 125.3237 cm^3
• Polarizability: 45.359875 Å^3
• Polar Surface Area: 51.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.56
• LOG S: -4.98
• Polar Surface Area: 51.97 Å^2
• Rotatable Bonds: 5