diphenyl-1H-imidazole-1,2-diamine

• ChemBase ID: 121789
• Molecular Formular: C15H14N4
• Molecular Mass: 250.29846
• Monoisotopic Mass: 250.12184647
• SMILES: n1c(c(n(c1N)N)c1ccccc1)c1ccccc1
• Canonical SMILES: Nn1c(N)nc(c1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H14N4/c16-15-18-13(11-7-3-1-4-8-11)14(19(15)17)12-9-5-2-6-10-12/h1-10H,17H2,(H2,16,18)
• InChIKey: WXQOHYIZALVTPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl-1H-imidazole-1,2-diamine
• IUPAC Traditional name: diphenylimidazole-1,2-diamine
• Synonyms: 4,5-diphenyl-1H-imidazole-1,2-diamine

Database IDs

• PubChem SID: 162216142
• PubChem CID: 910784

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.194176
• LogD (pH = 7.4): 2.2412434
• Log P: 2.344803
• Molar Refractivity: 78.8592 cm^3
• Polarizability: 31.4385 Å^3
• Polar Surface Area: 69.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true