dimethyl(3-{2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)amine

• ChemBase ID: 823307
• Molecular Formular: C22H33N5
• Molecular Mass: 367.53092
• Monoisotopic Mass: 367.27359608
• SMILES: c1(n(ccn1)CCCN(C)C)C1CCN(c2nc3c(cc2)CCCC3)CC1
• Canonical SMILES: CN(CCCn1ccnc1C1CCN(CC1)c1ccc2c(n1)CCCC2)C
• InChI: InChI=1S/C22H33N5/c1-25(2)13-5-14-27-17-12-23-22(27)19-10-15-26(16-11-19)21-9-8-18-6-3-4-7-20(18)24-21/h8-9,12,17,19H,3-7,10-11,13-16H2,1-2H3
• InChIKey: QHTQFOJYVXEOBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(3-{2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)amine
• IUPAC Traditional name: dimethyl(3-{2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl}propyl)amine
• Synonyms: N,N-dimethyl-3-{2-[1-(5,6,7,8-tetrahydro-2-quinolinyl)-4-piperidinyl]-1H-imidazol-1-yl}-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.5851607
• LogD (pH = 7.4): 0.733724
• Log P: 3.3608222
• Molar Refractivity: 112.6745 cm^3
• Polarizability: 42.52174 Å^3
• Polar Surface Area: 37.19 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: 3.04
• LOG S: -3.47
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 6