dimethyl(3-{2-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)amine

• ChemBase ID: 856415
• Molecular Formular: C24H30N4O
• Molecular Mass: 390.5212
• Monoisotopic Mass: 390.2419616
• SMILES: C(=O)(N1CCC(c2n(ccn2)CCCN(C)C)CC1)c1c2c(ccc1)cccc2
• Canonical SMILES: CN(CCCn1ccnc1C1CCN(CC1)C(=O)c1cccc2c1cccc2)C
• InChI: InChI=1S/C24H30N4O/c1-26(2)14-6-15-27-18-13-25-23(27)20-11-16-28(17-12-20)24(29)22-10-5-8-19-7-3-4-9-21(19)22/h3-5,7-10,13,18,20H,6,11-12,14-17H2,1-2H3
• InChIKey: OGHYGPHYZXXWFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(3-{2-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)amine
• IUPAC Traditional name: dimethyl(3-{2-[1-(naphthalene-1-carbonyl)piperidin-4-yl]imidazol-1-yl}propyl)amine
• Synonyms: N,N-dimethyl-3-{2-[1-(1-naphthoyl)piperidin-4-yl]-1H-imidazol-1-yl}propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2596883
• LogD (pH = 7.4): 0.56570303
• Log P: 2.8372922
• Molar Refractivity: 118.3529 cm^3
• Polarizability: 46.248642 Å^3
• Polar Surface Area: 41.37 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: 2.18
• LOG S: -3.91
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6