1-benzyl-N-(1H-indol-5-yl)-1H-indole-6-carboxamide

• ChemBase ID: 224248
• Molecular Formular: C24H19N3O
• Molecular Mass: 365.42716
• Monoisotopic Mass: 365.15281224
• SMILES: n1(c2cc(C(=O)Nc3cc4c([nH]cc4)cc3)ccc2cc1)Cc1ccccc1
• Canonical SMILES: O=C(c1ccc2c(c1)n(cc2)Cc1ccccc1)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C24H19N3O/c28-24(26-21-8-9-22-19(14-21)10-12-25-22)20-7-6-18-11-13-27(23(18)15-20)16-17-4-2-1-3-5-17/h1-15,25H,16H2,(H,26,28)
• InChIKey: FFKJSMANWYJMJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N-(1H-indol-5-yl)-1H-indole-6-carboxamide
• IUPAC Traditional name: 1-benzyl-N-(1H-indol-5-yl)indole-6-carboxamide

Database IDs

• PubChem SID: 164280158
• PubChem CID: 51052233

CALCULATED PROPERTIES

• Acid pKa: 11.373121
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 5.210803
• LogD (pH = 7.4): 5.21076
• Log P: 5.210804
• Molar Refractivity: 113.2738 cm^3
• Polarizability: 44.85323 Å^3
• Polar Surface Area: 49.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds