(3-{2-[1-(3-chloropyridin-2-yl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)dimethylamine

• ChemBase ID: 510963
• Molecular Formular: C18H26ClN5
• Molecular Mass: 347.88554
• Monoisotopic Mass: 347.18767354
• SMILES: c1(n(ccn1)CCCN(C)C)C1CCN(c2ncccc2Cl)CC1
• Canonical SMILES: CN(CCCn1ccnc1C1CCN(CC1)c1ncccc1Cl)C
• InChI: InChI=1S/C18H26ClN5/c1-22(2)10-4-11-23-14-9-21-17(23)15-6-12-24(13-7-15)18-16(19)5-3-8-20-18/h3,5,8-9,14-15H,4,6-7,10-13H2,1-2H3
• InChIKey: FJYDEEWNBZTPOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{2-[1-(3-chloropyridin-2-yl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)dimethylamine
• IUPAC Traditional name: (3-{2-[1-(3-chloropyridin-2-yl)piperidin-4-yl]imidazol-1-yl}propyl)dimethylamine
• Synonyms: (3-{2-[1-(3-chloro-2-pyridinyl)-4-piperidinyl]-1H-imidazol-1-yl}propyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7974731
• LogD (pH = 7.4): 0.2594753
• Log P: 2.6386967
• Molar Refractivity: 100.4209 cm^3
• Polarizability: 37.91657 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: 2.56
• LOG S: -2.92
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 6