(1s,4s)-4-[2-(naphthalen-1-yl)-1H-imidazol-1-yl]cyclohexan-1-amine

• ChemBase ID: 575429
• Molecular Formular: C19H21N3
• Molecular Mass: 291.39014
• Monoisotopic Mass: 291.17354769
• SMILES: c1(n(ccn1)[C@H]1CC[C@@H](N)CC1)c1c2c(ccc1)cccc2
• Canonical SMILES: N[C@@H]1CC[C@@H](CC1)n1ccnc1c1cccc2c1cccc2
• InChI: InChI=1S/C19H21N3/c20-15-8-10-16(11-9-15)22-13-12-21-19(22)18-7-3-5-14-4-1-2-6-17(14)18/h1-7,12-13,15-16H,8-11,20H2/t15-,16+
• InChIKey: KEVNLKFCLUAYTA-IYBDPMFKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1s,4s)-4-[2-(naphthalen-1-yl)-1H-imidazol-1-yl]cyclohexan-1-amine
• IUPAC Traditional name: (1s,4s)-4-[2-(naphthalen-1-yl)imidazol-1-yl]cyclohexan-1-amine
• Synonyms: cis-4-[2-(1-naphthyl)-1H-imidazol-1-yl]cyclohexanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.15781258
• LogD (pH = 7.4): 0.6409354
• Log P: 3.398369
• Molar Refractivity: 99.8025 cm^3
• Polarizability: 36.827164 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.14
• LOG S: -3.0
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2