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CAS No.: | 82626-01-5 |
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Name: | ALPIDEM |
Molecular Structure: | |
Formula: | C21H23Cl2N3O |
Molecular Weight: | 404.33 |
Synonyms: | 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;6-Chloro-2-(4-chlorophenyl)-N,N-dipropylimidazo[1,2-a]pyridine-3-acetamide;ananxyl;imidazo[1,2-a]pyridine-3-acetamide, 6-chloro-2-(4-chlorophenyl)-N,N-dipropyl-;Alpidem; |
Density: | 1.24 g/cm3 |
Melting Point: | 136-138 °C |
Appearance: | white to off-white solid |
PSA: | 37.61000 |
LogP: | 5.49920 |
The Imidazo[1,2-a]pyridine-3-acetamide,6-chloro-2-(4-chlorophenyl)-N,N-dipropyl-, with the CAS registry number 82626-01-5, has the systematic name of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide. And the molecular formula of this chemical is C21H23Cl2N3O. It is a kind of white to off-white solid, and belongs to the following product categories: Aromatics Compounds; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. In addition, it is a peripheral benzodiazepine GABAA receptor ligand and a new anxiolytic.
The physical properties of Imidazo[1,2-a]pyridine-3-acetamide,6-chloro-2-(4-chlorophenyl)-N,N-dipropyl- are as following: (1)ACD/LogP: 5.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.48; (4)ACD/LogD (pH 7.4): 5.49; (5)ACD/BCF (pH 5.5): 8616.09; (6)ACD/BCF (pH 7.4): 8716.74; (7)ACD/KOC (pH 5.5): 22752.72; (8)ACD/KOC (pH 7.4): 23018.49; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 37.61 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 112.33 cm3; (15)Molar Volume: 325.4 cm3; (16)Polarizability: 44.53×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.24 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc(c1nc2ccc(Cl)cn2c1CC(=O)N(CCC)CCC)cc3
(2)InChI: InChI=1/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
(3)InChIKey: JRTIDHTUMYMPRU-UHFFFAOYAX