1-benzyl-N-methyl-1H-1,3-benzodiazol-2-amine

• ChemBase ID: 799332
• Molecular Formular: C15H15N3
• Molecular Mass: 237.2997
• Monoisotopic Mass: 237.1265975
• SMILES: N(C)c1n(c2c(n1)cccc2)Cc1ccccc1
• Canonical SMILES: CNc1nc2c(n1Cc1ccccc1)cccc2
• InChI: InChI=1S/C15H15N3/c1-16-15-17-13-9-5-6-10-14(13)18(15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,16,17)
• InChIKey: QTIDUMRDGLRSIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N-methyl-1H-1,3-benzodiazol-2-amine
• IUPAC Traditional name: 1-benzyl-N-methyl-1,3-benzodiazol-2-amine
• Synonyms: 1-Benzyl-1H-benzoimidazol-2-yl-methylamine

Database IDs

• CAS Number: 20028-36-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2911913
• LogD (pH = 7.4): 3.2739341
• Log P: 3.3646812
• Molar Refractivity: 74.1449 cm^3
• Polarizability: 29.0522 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%