4-methyl-1-phenyl-1H-imidazol-2-amine

• ChemBase ID: 248922
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: c1(n(cc(n1)C)c1ccccc1)N
• Canonical SMILES: Cc1cn(c(n1)N)c1ccccc1
• InChI: InChI=1S/C10H11N3/c1-8-7-13(10(11)12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,11,12)
• InChIKey: MBKBPWQLWPEWJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-phenyl-1H-imidazol-2-amine
• IUPAC Traditional name: 4-methyl-1-phenylimidazol-2-amine
• Synonyms: 4-methyl-1-phenyl-1H-imidazol-2-amine

Database IDs

• MDL Number: MFCD20706297
• PubChem SID: 164304832
• PubChem CID: 71758618

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.34168574
• LogD (pH = 7.4): 0.35299468
• Log P: 1.5578
• Molar Refractivity: 62.7716 cm^3
• Polarizability: 20.337055 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.063

Product Information

• Purity: 95%