N-{3-[4-phenyl-5-(1,3-thiazol-2-yl)-1H-imidazol-1-yl]propyl}pyridin-3-amine

• ChemBase ID: 688248
• Molecular Formular: C20H19N5S
• Molecular Mass: 361.46336
• Monoisotopic Mass: 361.13611663
• SMILES: c1(c(ncn1CCCNc1cnccc1)c1ccccc1)c1nccs1
• Canonical SMILES: c1ccc(cc1)c1ncn(c1c1nccs1)CCCNc1cccnc1
• InChI: InChI=1S/C20H19N5S/c1-2-6-16(7-3-1)18-19(20-23-11-13-26-20)25(15-24-18)12-5-10-22-17-8-4-9-21-14-17/h1-4,6-9,11,13-15,22H,5,10,12H2
• InChIKey: XLZPNUFPUZZKAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[4-phenyl-5-(1,3-thiazol-2-yl)-1H-imidazol-1-yl]propyl}pyridin-3-amine
• IUPAC Traditional name: N-{3-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]propyl}pyridin-3-amine
• Synonyms: N-{3-[4-phenyl-5-(1,3-thiazol-2-yl)-1H-imidazol-1-yl]propyl}pyridin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4923139
• LogD (pH = 7.4): 2.8251047
• Log P: 2.831878
• Molar Refractivity: 115.8525 cm^3
• Polarizability: 41.456333 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.47
• LOG S: -4.8
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 7