N-[5-(1H-1,3-benzodiazol-2-yl)pentyl]benzamide

• ChemBase ID: 192132
• Molecular Formular: C19H21N3O
• Molecular Mass: 307.38954
• Monoisotopic Mass: 307.16846231
• SMILES: n1c([nH]c2c1cccc2)CCCCCNC(=O)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)NCCCCCc1nc2c([nH]1)cccc2
• InChI: InChI=1S/C19H21N3O/c23-19(15-9-3-1-4-10-15)20-14-8-2-5-13-18-21-16-11-6-7-12-17(16)22-18/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H,20,23)(H,21,22)
• InChIKey: QFGXLIDFDVJCCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(1H-1,3-benzodiazol-2-yl)pentyl]benzamide
• IUPAC Traditional name: N-[5-(1H-1,3-benzodiazol-2-yl)pentyl]benzamide

Database IDs

• PubChem SID: 164248042
• PubChem CID: 1553122

CALCULATED PROPERTIES

• Acid pKa: 12.550924
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8562033
• LogD (pH = 7.4): 3.521936
• Log P: 3.546271
• Molar Refractivity: 91.5396 cm^3
• Polarizability: 36.234337 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds