N-cyclohexyl-3-[5-(1-ethyl-1H-imidazol-5-yl)-4-phenyl-1H-imidazol-1-yl]propanamide

• ChemBase ID: 701340
• Molecular Formular: C23H29N5O
• Molecular Mass: 391.50926
• Monoisotopic Mass: 391.23721057
• SMILES: c1(c2n(cnc2)CC)c(ncn1CCC(=O)NC1CCCCC1)c1ccccc1
• Canonical SMILES: CCn1cncc1c1n(CCC(=O)NC2CCCCC2)cnc1c1ccccc1
• InChI: InChI=1S/C23H29N5O/c1-2-27-16-24-15-20(27)23-22(18-9-5-3-6-10-18)25-17-28(23)14-13-21(29)26-19-11-7-4-8-12-19/h3,5-6,9-10,15-17,19H,2,4,7-8,11-14H2,1H3,(H,26,29)
• InChIKey: FPTRKTJHIUAEKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-[5-(1-ethyl-1H-imidazol-5-yl)-4-phenyl-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: N-cyclohexyl-3-[5-(3-ethylimidazol-4-yl)-4-phenylimidazol-1-yl]propanamide
• Synonyms: N-cyclohexyl-3-(3'-ethyl-5-phenyl-3H,3'H-4,4'-biimidazol-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.800738
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5341966
• LogD (pH = 7.4): 2.9762785
• Log P: 2.991769
• Molar Refractivity: 114.6821 cm^3
• Polarizability: 46.55397 Å^3
• Polar Surface Area: 64.74 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: 5.49
• LOG S: -6.74
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 7