N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenyl-N-(propan-2-yl)propanamide

• ChemBase ID: 697595
• Molecular Formular: C24H29N3O
• Molecular Mass: 375.50656
• Monoisotopic Mass: 375.23106256
• SMILES: c1(n(ccn1)C)CN(C(=O)CC(c1c(C)cccc1)c1ccccc1)C(C)C
• Canonical SMILES: CC(N(C(=O)CC(c1ccccc1C)c1ccccc1)Cc1nccn1C)C
• InChI: InChI=1S/C24H29N3O/c1-18(2)27(17-23-25-14-15-26(23)4)24(28)16-22(20-11-6-5-7-12-20)21-13-9-8-10-19(21)3/h5-15,18,22H,16-17H2,1-4H3
• InChIKey: WCXWEUWKEBRLDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenyl-N-(propan-2-yl)propanamide
• IUPAC Traditional name: N-isopropyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
• Synonyms: N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7578628
• LogD (pH = 7.4): 4.2887845
• Log P: 4.306445
• Molar Refractivity: 114.2255 cm^3
• Polarizability: 43.978527 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.63
• LOG S: -4.92
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 6