{1-[5-(1-ethyl-1H-imidazol-5-yl)-4-phenyl-1H-imidazol-1-yl]pentan-2-yl}dimethylamine

• ChemBase ID: 320764
• Molecular Formular: C21H29N5
• Molecular Mass: 351.48846
• Monoisotopic Mass: 351.24229595
• SMILES: c1(n(cnc1c1ccccc1)CC(N(C)C)CCC)c1n(cnc1)CC
• Canonical SMILES: CCCC(N(C)C)Cn1cnc(c1c1cncn1CC)c1ccccc1
• InChI: InChI=1S/C21H29N5/c1-5-10-18(24(3)4)14-26-16-23-20(17-11-8-7-9-12-17)21(26)19-13-22-15-25(19)6-2/h7-9,11-13,15-16,18H,5-6,10,14H2,1-4H3
• InChIKey: LEBOSQATELEKPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[5-(1-ethyl-1H-imidazol-5-yl)-4-phenyl-1H-imidazol-1-yl]pentan-2-yl}dimethylamine
• IUPAC Traditional name: {1-[5-(3-ethylimidazol-4-yl)-4-phenylimidazol-1-yl]pentan-2-yl}dimethylamine
• Synonyms: 1-(3'-ethyl-5-phenyl-3H,3'H-4,4'-biimidazol-3-yl)-N,N-dimethylpentan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3571166
• LogD (pH = 7.4): 1.2345219
• Log P: 3.4630797
• Molar Refractivity: 107.7279 cm^3
• Polarizability: 43.91176 Å^3
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.33
• LOG S: -5.31
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 8