N-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-ylmethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 486856
• Molecular Formular: C19H21N3O
• Molecular Mass: 307.38954
• Monoisotopic Mass: 307.16846231
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NC[C@H]1[C@H]2C=C[C@H](C2)C1
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NC[C@@H]1C[C@H]2C[C@@H]1C=C2
• InChI: InChI=1S/C19H21N3O/c23-18(21-12-17-11-14-6-7-16(17)10-14)13-22-9-8-20-19(22)15-4-2-1-3-5-15/h1-9,14,16-17H,10-13H2,(H,21,23)/t14-,16+,17+/m1/s1
• InChIKey: RRIFBBNWDCJKQD-PVAVHDDUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-ylmethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-ylmethyl]-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-[(1R*,2R*,4R*)-bicyclo[2.2.1]hept-5-en-2-ylmethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.581661
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8536558
• LogD (pH = 7.4): 2.3973577
• Log P: 2.416044
• Molar Refractivity: 101.3702 cm^3
• Polarizability: 35.344135 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.43
• LOG S: -3.52
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5