N-cyclohexyl-2-[N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido]-2-(2-methylphenyl)acetamide

• ChemBase ID: 312990
• Molecular Formular: C27H31FN4O2
• Molecular Mass: 462.5590432
• Monoisotopic Mass: 462.24310447
• SMILES: C1CCC(CC1)NC(=O)C(N(C(=O)Cn1ccnc1C)c1cc(ccc1)F)c1c(cccc1)C
• Canonical SMILES: Fc1cccc(c1)N(C(c1ccccc1C)C(=O)NC1CCCCC1)C(=O)Cn1ccnc1C
• InChI: InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)
• InChIKey: FNYGWXSATBUBER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-[N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido]-2-(2-methylphenyl)acetamide
• IUPAC Traditional name: N-cyclohexyl-2-[N-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)acetamido]-2-(2-methylphenyl)acetamide
• Synonyms: IDH-C35; AGI-5198

Database IDs

• CAS Number: 1355326-35-0

CALCULATED PROPERTIES

• Acid pKa: 14.6300335
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2610908
• LogD (pH = 7.4): 4.0460515
• Log P: 4.264408
• Molar Refractivity: 129.2612 cm^3
• Polarizability: 49.60164 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Dehydrogenase

Product Information

• Salt Data: Free Base