1-benzyl-4-phenyl-1H-imidazol-5-amine

• ChemBase ID: 254945
• Molecular Formular: C16H15N3
• Molecular Mass: 249.3104
• Monoisotopic Mass: 249.1265975
• SMILES: n1(c(c(nc1)c1ccccc1)N)Cc1ccccc1
• Canonical SMILES: Nc1n(cnc1c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C16H15N3/c17-16-15(14-9-5-2-6-10-14)18-12-19(16)11-13-7-3-1-4-8-13/h1-10,12H,11,17H2
• InChIKey: XROJJZRAHMZJLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-phenyl-1H-imidazol-5-amine
• IUPAC Traditional name: 3-benzyl-5-phenylimidazol-4-amine
• Synonyms: 1-benzyl-4-phenyl-1H-imidazol-5-amine

Database IDs

• MDL Number: MFCD09863439
• PubChem SID: 164310855
• PubChem CID: 42948572

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.131738
• LogD (pH = 7.4): 2.9278393
• Log P: 3.0963657
• Molar Refractivity: 77.24 cm^3
• Polarizability: 30.679651 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.568

Product Information

• Purity: 95%