N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-4-(2-oxopyrrolidin-1-yl)benzamide

• ChemBase ID: 754478
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: n1(c(ncc1)C)CC1(CC1)CNC(=O)c1ccc(N2C(=O)CCC2)cc1
• Canonical SMILES: O=C1CCCN1c1ccc(cc1)C(=O)NCC1(CC1)Cn1ccnc1C
• InChI: InChI=1S/C20H24N4O2/c1-15-21-10-12-23(15)14-20(8-9-20)13-22-19(26)16-4-6-17(7-5-16)24-11-2-3-18(24)25/h4-7,10,12H,2-3,8-9,11,13-14H2,1H3,(H,22,26)
• InChIKey: SMAGCGVSBKYPIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-4-(2-oxopyrrolidin-1-yl)benzamide
• IUPAC Traditional name: N-({1-[(2-methylimidazol-1-yl)methyl]cyclopropyl}methyl)-4-(2-oxopyrrolidin-1-yl)benzamide
• Synonyms: N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-4-(2-oxopyrrolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.855621
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.038111567
• LogD (pH = 7.4): 0.730884
• Log P: 0.9742422
• Molar Refractivity: 99.111 cm^3
• Polarizability: 37.65148 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.66
• LOG S: -2.33
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6