N-[1-cyclopentyl-7-(morpholine-4-carbonyl)-1H-1,3-benzodiazol-5-yl]benzamide

• ChemBase ID: 347601
• Molecular Formular: C24H26N4O3
• Molecular Mass: 418.48824
• Monoisotopic Mass: 418.20049071
• SMILES: c1(c2n(cnc2cc(NC(=O)c2ccccc2)c1)C1CCCC1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1ccccc1)Nc1cc2ncn(c2c(c1)C(=O)N1CCOCC1)C1CCCC1
• InChI: InChI=1S/C24H26N4O3/c29-23(17-6-2-1-3-7-17)26-18-14-20(24(30)27-10-12-31-13-11-27)22-21(15-18)25-16-28(22)19-8-4-5-9-19/h1-3,6-7,14-16,19H,4-5,8-13H2,(H,26,29)
• InChIKey: FWKBECZXSHQQTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-cyclopentyl-7-(morpholine-4-carbonyl)-1H-1,3-benzodiazol-5-yl]benzamide
• IUPAC Traditional name: N-[1-cyclopentyl-7-(morpholine-4-carbonyl)-1,3-benzodiazol-5-yl]benzamide
• Synonyms: N-[1-cyclopentyl-7-(4-morpholinylcarbonyl)-1H-benzimidazol-5-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.611257
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9458797
• LogD (pH = 7.4): 3.0083807
• Log P: 3.0092587
• Molar Refractivity: 119.7582 cm^3
• Polarizability: 45.81634 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.14
• LOG S: -5.1
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 4