5-{4-phenyl-5-[3-(1H-pyrazol-1-ylmethyl)phenyl]-1H-imidazol-1-yl}pentan-1-amine

• ChemBase ID: 404513
• Molecular Formular: C24H27N5
• Molecular Mass: 385.50468
• Monoisotopic Mass: 385.22664589
• SMILES: n1c(c(n(c1)CCCCCN)c1cc(Cn2nccc2)ccc1)c1ccccc1
• Canonical SMILES: NCCCCCn1cnc(c1c1cccc(c1)Cn1cccn1)c1ccccc1
• InChI: InChI=1S/C24H27N5/c25-13-5-2-6-15-28-19-26-23(21-10-3-1-4-11-21)24(28)22-12-7-9-20(17-22)18-29-16-8-14-27-29/h1,3-4,7-12,14,16-17,19H,2,5-6,13,15,18,25H2
• InChIKey: YJSPEIZESITMRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{4-phenyl-5-[3-(1H-pyrazol-1-ylmethyl)phenyl]-1H-imidazol-1-yl}pentan-1-amine
• IUPAC Traditional name: 5-{4-phenyl-5-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl}pentan-1-amine
• Synonyms: (5-{4-phenyl-5-[3-(1H-pyrazol-1-ylmethyl)phenyl]-1H-imidazol-1-yl}pentyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.78600866
• LogD (pH = 7.4): 1.447334
• Log P: 4.0559945
• Molar Refractivity: 129.2642 cm^3
• Polarizability: 48.005585 Å^3
• Polar Surface Area: 61.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.69
• LOG S: -4.16
• Polar Surface Area: 61.66 Å^2
• Rotatable Bonds: 9