N-[3-(1H-imidazol-1-yl)propyl]-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 530163
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: C(=O)(C1Cc2c(C1)cccc2)N(Cc1ccncc1)CCCn1cncc1
• Canonical SMILES: O=C(C1Cc2c(C1)cccc2)N(Cc1ccncc1)CCCn1cncc1
• InChI: InChI=1S/C22H24N4O/c27-22(21-14-19-4-1-2-5-20(19)15-21)26(16-18-6-8-23-9-7-18)12-3-11-25-13-10-24-17-25/h1-2,4-10,13,17,21H,3,11-12,14-16H2
• InChIKey: VUNLYPBEMMZALN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-imidazol-1-yl)propyl]-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: N-[3-(imidazol-1-yl)propyl]-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
• Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-N-(pyridin-4-ylmethyl)indane-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6753325
• LogD (pH = 7.4): 2.247488
• Log P: 2.3177726
• Molar Refractivity: 106.0563 cm^3
• Polarizability: 40.64199 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.89
• LOG S: -2.14
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 7