(4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanol

• ChemBase ID: 253468
• Molecular Formular: C11H13N3O
• Molecular Mass: 203.24042
• Monoisotopic Mass: 203.10586205
• SMILES: c1(n(ccn1)C)C(c1ccc(N)cc1)O
• Canonical SMILES: Nc1ccc(cc1)C(c1nccn1C)O
• InChI: InChI=1S/C11H13N3O/c1-14-7-6-13-11(14)10(15)8-2-4-9(12)5-3-8/h2-7,10,15H,12H2,1H3
• InChIKey: LRLMBYIRRCQVAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanol
• IUPAC Traditional name: (4-aminophenyl)(1-methylimidazol-2-yl)methanol
• Synonyms: (4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanol

Database IDs

• MDL Number: MFCD06619337
• PubChem SID: 164309378
• PubChem CID: 4912907

CALCULATED PROPERTIES

• Acid pKa: 12.958153
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.15853806
• LogD (pH = 7.4): 0.4851612
• Log P: 0.491772
• Molar Refractivity: 59.1107 cm^3
• Polarizability: 22.087374 Å^3
• Polar Surface Area: 64.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.93

Product Information

• Purity: 95%