5-(1H-indol-3-ylmethyl)-3-phenylimidazolidine-2,4-dione

• ChemBase ID: 189404
• Molecular Formular: C18H15N3O2
• Molecular Mass: 305.3306
• Monoisotopic Mass: 305.11642674
• SMILES: N1(C(=O)NC(C1=O)Cc1c[nH]c2c1cccc2)c1ccccc1
• Canonical SMILES: O=C1NC(C(=O)N1c1ccccc1)Cc1c[nH]c2c1cccc2
• InChI: InChI=1S/C18H15N3O2/c22-17-16(10-12-11-19-15-9-5-4-8-14(12)15)20-18(23)21(17)13-6-2-1-3-7-13/h1-9,11,16,19H,10H2,(H,20,23)
• InChIKey: FJKSHOVPJSXKKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1H-indol-3-ylmethyl)-3-phenylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-(1H-indol-3-ylmethyl)-3-phenylimidazolidine-2,4-dione

Database IDs

• PubChem SID: 164245314
• PubChem CID: 4359895

CALCULATED PROPERTIES

• Acid pKa: 13.117893
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7552667
• LogD (pH = 7.4): 2.7552657
• Log P: 2.7552667
• Molar Refractivity: 85.9198 cm^3
• Polarizability: 34.164143 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds