1-(cyclopropylmethyl)-N-[4-(2-methyl-1H-imidazol-1-yl)phenyl]pyrrolidine-2-carboxamide

• ChemBase ID: 468129
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: n1(c(ncc1)C)c1ccc(NC(=O)C2N(CC3CC3)CCC2)cc1
• Canonical SMILES: O=C(C1CCCN1CC1CC1)Nc1ccc(cc1)n1ccnc1C
• InChI: InChI=1S/C19H24N4O/c1-14-20-10-12-23(14)17-8-6-16(7-9-17)21-19(24)18-3-2-11-22(18)13-15-4-5-15/h6-10,12,15,18H,2-5,11,13H2,1H3,(H,21,24)
• InChIKey: ZCDWHUOXIAYDOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-[4-(2-methyl-1H-imidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-N-[4-(2-methyl-1H-imidazol-1-yl)phenyl]prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.55165
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2551676
• LogD (pH = 7.4): 1.3359329
• Log P: 2.3870149
• Molar Refractivity: 105.9674 cm^3
• Polarizability: 37.02186 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.98
• LOG S: -3.56
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5