2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-5-ethenylpyridine

• ChemBase ID: 826416
• Molecular Formular: C19H24N4
• Molecular Mass: 308.42066
• Monoisotopic Mass: 308.20009679
• SMILES: n1(c(ncc1)C1CCN(c2ncc(C=C)cc2)CC1)CC1CC1
• Canonical SMILES: C=Cc1ccc(nc1)N1CCC(CC1)c1nccn1CC1CC1
• InChI: InChI=1S/C19H24N4/c1-2-15-5-6-18(21-13-15)22-10-7-17(8-11-22)19-20-9-12-23(19)14-16-3-4-16/h2,5-6,9,12-13,16-17H,1,3-4,7-8,10-11,14H2
• InChIKey: MEGLSKBRTQOJQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-5-ethenylpyridine
• IUPAC Traditional name: 2-{4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl}-5-ethenylpyridine
• Synonyms: 2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-5-vinylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.850982
• LogD (pH = 7.4): 3.3142326
• Log P: 3.4733272
• Molar Refractivity: 94.3599 cm^3
• Polarizability: 35.457478 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.01
• LOG S: -4.02
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5