N-cyclopentyl-2-{[3-(1-methyl-1H-1,3-benzodiazol-2-yl)propyl]amino}propanamide

• ChemBase ID: 371113
• Molecular Formular: C19H28N4O
• Molecular Mass: 328.45182
• Monoisotopic Mass: 328.22631154
• SMILES: n1c(n(c2c1cccc2)C)CCCNC(C(=O)NC1CCCC1)C
• Canonical SMILES: O=C(C(NCCCc1nc2c(n1C)cccc2)C)NC1CCCC1
• InChI: InChI=1S/C19H28N4O/c1-14(19(24)21-15-8-3-4-9-15)20-13-7-12-18-22-16-10-5-6-11-17(16)23(18)2/h5-6,10-11,14-15,20H,3-4,7-9,12-13H2,1-2H3,(H,21,24)
• InChIKey: PCGPAJIPFBVQIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-{[3-(1-methyl-1H-1,3-benzodiazol-2-yl)propyl]amino}propanamide
• IUPAC Traditional name: N-cyclopentyl-2-{[3-(1-methyl-1,3-benzodiazol-2-yl)propyl]amino}propanamide
• Synonyms: N-cyclopentyl-2-{[3-(1-methyl-1H-benzimidazol-2-yl)propyl]amino}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.562623
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.98028713
• LogD (pH = 7.4): 0.99724346
• Log P: 2.4585521
• Molar Refractivity: 95.6052 cm^3
• Polarizability: 38.60813 Å^3
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.2
• LOG S: -3.48
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 7