3-({2-[2-(furan-2-yl)phenyl]-1H-imidazol-1-yl}methyl)-N,N-dimethylbenzamide

• ChemBase ID: 597065
• Molecular Formular: C23H21N3O2
• Molecular Mass: 371.43174
• Monoisotopic Mass: 371.16337693
• SMILES: c1(n(Cc2cc(C(=O)N(C)C)ccc2)ccn1)c1c(c2occc2)cccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)Cn1ccnc1c1ccccc1c1ccco1)C
• InChI: InChI=1S/C23H21N3O2/c1-25(2)23(27)18-8-5-7-17(15-18)16-26-13-12-24-22(26)20-10-4-3-9-19(20)21-11-6-14-28-21/h3-15H,16H2,1-2H3
• InChIKey: IDZWCTYNVHDLDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({2-[2-(furan-2-yl)phenyl]-1H-imidazol-1-yl}methyl)-N,N-dimethylbenzamide
• IUPAC Traditional name: 3-({2-[2-(furan-2-yl)phenyl]imidazol-1-yl}methyl)-N,N-dimethylbenzamide
• Synonyms: 3-({2-[2-(2-furyl)phenyl]-1H-imidazol-1-yl}methyl)-N,N-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3404946
• LogD (pH = 7.4): 3.8191206
• Log P: 3.8331597
• Molar Refractivity: 120.0226 cm^3
• Polarizability: 43.134956 Å^3
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.26
• LOG S: -3.84
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 5