dimethyl(2-{2-[1-(naphthalene-2-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)amine

• ChemBase ID: 787937
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: c1(C2CN(C(=O)c3cc4c(cc3)cccc4)CCC2)n(ccn1)CCN(C)C
• Canonical SMILES: CN(CCn1ccnc1C1CCCN(C1)C(=O)c1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C23H28N4O/c1-25(2)14-15-26-13-11-24-22(26)21-8-5-12-27(17-21)23(28)20-10-9-18-6-3-4-7-19(18)16-20/h3-4,6-7,9-11,13,16,21H,5,8,12,14-15,17H2,1-2H3
• InChIKey: JRADLEJEFWTYMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-{2-[1-(naphthalene-2-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)amine
• IUPAC Traditional name: dimethyl(2-{2-[1-(naphthalene-2-carbonyl)piperidin-3-yl]imidazol-1-yl}ethyl)amine
• Synonyms: N,N-dimethyl-2-{2-[1-(2-naphthoyl)-3-piperidinyl]-1H-imidazol-1-yl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.551542
• LogD (pH = 7.4): 1.4039309
• Log P: 2.93324
• Molar Refractivity: 113.3335 cm^3
• Polarizability: 44.39957 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: 2.01
• LOG S: -3.66
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5