1-benzyl-2-hydrazinyl-4,5-dihydro-1H-imidazole hydroiodide

• ChemBase ID: 81431
• Molecular Formular: C10H15IN4
• Molecular Mass: 318.15737
• Monoisotopic Mass: 318.0341445
• SMILES: N1(C(=NCC1)NN)Cc1ccccc1.I
• Canonical SMILES: NNC1=NCCN1Cc1ccccc1.I
• InChI: InChI=1S/C10H14N4.HI/c11-13-10-12-6-7-14(10)8-9-4-2-1-3-5-9;/h1-5H,6-8,11H2,(H,12,13);1H
• InChIKey: ZVPAKYSKHYBKSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2-hydrazinyl-4,5-dihydro-1H-imidazole hydroiodide
• IUPAC Traditional name: 1-benzyl-2-hydrazinyl-4,5-dihydroimidazole hydroiodide
• Synonyms: 1-Benzyl-2-hydrazino-4,5-dihydro-1H-imidazole hydroiodide

Database IDs

• MDL Number: MFCD00278175
• PubChem SID: 162068550
• PubChem CID: 2777322

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6128231
• LogD (pH = 7.4): -1.5411537
• Log P: 0.8477283
• Molar Refractivity: 68.0304 cm^3
• Polarizability: 21.387232 Å^3
• Polar Surface Area: 53.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful