{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}(methyl)(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amine

• ChemBase ID: 737728
• Molecular Formular: C19H29N5
• Molecular Mass: 327.46706
• Monoisotopic Mass: 327.24229595
• SMILES: c1(n[nH]c2c1CCCC2)CN(Cc1nc([nH]c1)CC1CCCC1)C
• Canonical SMILES: CN(Cc1n[nH]c2c1CCCC2)Cc1c[nH]c(n1)CC1CCCC1
• InChI: InChI=1S/C19H29N5/c1-24(13-18-16-8-4-5-9-17(16)22-23-18)12-15-11-20-19(21-15)10-14-6-2-3-7-14/h11,14H,2-10,12-13H2,1H3,(H,20,21)(H,22,23)
• InChIKey: NFCCORUMIWMFDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}(methyl)(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amine
• IUPAC Traditional name: {[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}(methyl)(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amine
• Synonyms: 1-[2-(cyclopentylmethyl)-1H-imidazol-4-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.256274
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0228016
• LogD (pH = 7.4): 3.1074927
• Log P: 3.184721
• Molar Refractivity: 97.9418 cm^3
• Polarizability: 37.31396 Å^3
• Polar Surface Area: 60.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.07
• LOG S: -3.2
• Polar Surface Area: 60.6 Å^2
• Rotatable Bonds: 6