N-(1H-1,3-benzodiazol-6-yl)-2-(1H-indol-3-yl)acetamide

• ChemBase ID: 223286
• Molecular Formular: C17H14N4O
• Molecular Mass: 290.31926
• Monoisotopic Mass: 290.11676109
• SMILES: c1(c[nH]c2c1cccc2)CC(=O)Nc1cc2[nH]cnc2cc1
• Canonical SMILES: O=C(Cc1c[nH]c2c1cccc2)Nc1ccc2c(c1)[nH]cn2
• InChI: InChI=1S/C17H14N4O/c22-17(7-11-9-18-14-4-2-1-3-13(11)14)21-12-5-6-15-16(8-12)20-10-19-15/h1-6,8-10,18H,7H2,(H,19,20)(H,21,22)
• InChIKey: HGGLRFVSMDJTHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-1,3-benzodiazol-6-yl)-2-(1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-(3H-1,3-benzodiazol-5-yl)-2-(1H-indol-3-yl)acetamide

Database IDs

• PubChem SID: 164279196
• PubChem CID: 49652113

CALCULATED PROPERTIES

• Acid pKa: 12.03489
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 2.0243256
• LogD (pH = 7.4): 2.419931
• Log P: 2.4303162
• Molar Refractivity: 85.6399 cm^3
• Polarizability: 34.378857 Å^3
• Polar Surface Area: 73.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds