N-cyclopentyl-2-(6-methyl-1H-1,3-benzodiazol-2-yl)pyrrolidine-1-carboxamide

• ChemBase ID: 573087
• Molecular Formular: C18H24N4O
• Molecular Mass: 312.40936
• Monoisotopic Mass: 312.19501141
• SMILES: c1(nc2c([nH]1)cc(cc2)C)C1N(C(=O)NC2CCCC2)CCC1
• Canonical SMILES: Cc1ccc2c(c1)[nH]c(n2)C1CCCN1C(=O)NC1CCCC1
• InChI: InChI=1S/C18H24N4O/c1-12-8-9-14-15(11-12)21-17(20-14)16-7-4-10-22(16)18(23)19-13-5-2-3-6-13/h8-9,11,13,16H,2-7,10H2,1H3,(H,19,23)(H,20,21)
• InChIKey: RDWKSHCJLHZQLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-(6-methyl-1H-1,3-benzodiazol-2-yl)pyrrolidine-1-carboxamide
• IUPAC Traditional name: N-cyclopentyl-2-(5-methyl-3H-1,3-benzodiazol-2-yl)pyrrolidine-1-carboxamide
• Synonyms: N-cyclopentyl-2-(6-methyl-1H-benzimidazol-2-yl)-1-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.602525
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7149928
• LogD (pH = 7.4): 2.8744378
• Log P: 2.876969
• Molar Refractivity: 89.4235 cm^3
• Polarizability: 35.71112 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.06
• LOG S: -4.09
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 2