(2-{2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}ethyl)dimethylamine

• ChemBase ID: 700637
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: c1(n(ccn1)CCN(C)C)C1CCN(C(=O)c2cc3c(cc2)CCC3)CC1
• Canonical SMILES: CN(CCn1ccnc1C1CCN(CC1)C(=O)c1ccc2c(c1)CCC2)C
• InChI: InChI=1S/C22H30N4O/c1-24(2)14-15-25-13-10-23-21(25)18-8-11-26(12-9-18)22(27)20-7-6-17-4-3-5-19(17)16-20/h6-7,10,13,16,18H,3-5,8-9,11-12,14-15H2,1-2H3
• InChIKey: ORVDZMAERCDXNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
• IUPAC Traditional name: (2-{2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]imidazol-1-yl}ethyl)dimethylamine
• Synonyms: (2-{2-[1-(2,3-dihydro-1H-inden-5-ylcarbonyl)-4-piperidinyl]-1H-imidazol-1-yl}ethyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7005947
• LogD (pH = 7.4): 1.2643396
• Log P: 2.7955413
• Molar Refractivity: 109.9185 cm^3
• Polarizability: 41.498848 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.85
• LOG S: -3.45
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5