1-cyclopentyl-4-[({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(methyl)amino)methyl]pyrrolidin-2-one

• ChemBase ID: 518245
• Molecular Formular: C18H30N4O2
• Molecular Mass: 334.4564
• Monoisotopic Mass: 334.23687622
• SMILES: N1(C(=O)CC(C1)CN(Cc1n(ccn1)CCOC)C)C1CCCC1
• Canonical SMILES: COCCn1ccnc1CN(CC1CC(=O)N(C1)C1CCCC1)C
• InChI: InChI=1S/C18H30N4O2/c1-20(14-17-19-7-8-21(17)9-10-24-2)12-15-11-18(23)22(13-15)16-5-3-4-6-16/h7-8,15-16H,3-6,9-14H2,1-2H3
• InChIKey: HWAWINDCTSZORD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-4-[({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(methyl)amino)methyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-cyclopentyl-4-[({[1-(2-methoxyethyl)imidazol-2-yl]methyl}(methyl)amino)methyl]pyrrolidin-2-one
• Synonyms: 1-cyclopentyl-4-{[{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(methyl)amino]methyl}pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3393962
• LogD (pH = 7.4): 0.19253989
• Log P: 0.5332362
• Molar Refractivity: 94.4307 cm^3
• Polarizability: 36.65765 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.76
• LOG S: -2.29
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 8