1-[(R)-phenyl(4-phenylphenyl)methyl]-1H-imidazole

• ChemBase ID: 271222
• Molecular Formular: C22H18N2
• Molecular Mass: 310.39172
• Monoisotopic Mass: 310.14699859
• SMILES: n1(cncc1)[C@@H](c1ccc(cc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)[C@H](n1ccnc1)c1ccccc1
• InChI: InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H/t22-/m1/s1
• InChIKey: OCAPBUJLXMYKEJ-JOCHJYFZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(R)-phenyl(4-phenylphenyl)methyl]-1H-imidazole
• IUPAC Traditional name: 1-[(R)-phenyl(4-phenylphenyl)methyl]imidazole
• Synonyms: 1-[(R)-phenyl(4-phenylphenyl)methyl]-1H-imidazole

Database IDs

• MDL Number: MFCD17977108
• PubChem SID: 164327132
• PubChem CID: 12904880

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7149897
• LogD (pH = 7.4): 5.178793
• Log P: 5.2343907
• Molar Refractivity: 97.9411 cm^3
• Polarizability: 39.21749 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.741

Product Information

• Purity: 95%