1-(4-iodophenyl)-2-methyl-1H-imidazole

• ChemBase ID: 101430
• Molecular Formular: C10H9IN2
• Molecular Mass: 284.09633
• Monoisotopic Mass: 283.9810463
• SMILES: n1(c(ncc1)C)c1ccc(cc1)I
• Canonical SMILES: Ic1ccc(cc1)n1ccnc1C
• InChI: InChI=1S/C10H9IN2/c1-8-12-6-7-13(8)10-4-2-9(11)3-5-10/h2-7H,1H3
• InChIKey: REVPKMONQSPHGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-iodophenyl)-2-methyl-1H-imidazole
• IUPAC Traditional name: 1-(4-iodophenyl)-2-methylimidazole
• Synonyms: 1-(4-iodophenyl)-2-methyl-1H-imidazole

Database IDs

• CAS Number: 179420-75-8
• MDL Number: MFCD09261230
• PubChem SID: 162087949
• PubChem CID: 11289090

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.436344
• LogD (pH = 7.4): 2.3944118
• Log P: 2.5343
• Molar Refractivity: 71.8096 cm^3
• Polarizability: 24.211021 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%