Name: 5-(Difluoromethoxy)-2[[(4-chloro-3-methoxy-2-pyridinyl)methyl]-thio]-1H-benzimidazole
SKU: 368890-20-4

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Basic Information

Molecular Structure:
CAS No.:	368890-20-4
Name:	5-(Difluoromethoxy)-2[[(4-chloro-3-methoxy-2-pyridinyl)methyl]-thio]-1H-benzimidazole
Article Data:	4

Formula:	C₁₅H₁₂ClF₂N₃O₂S
Molecular Weight:	371.795
Synonyms:	1H-Benzimidazole,2-[[(4-chloro-3-methoxy-2-pyridinyl)methyl]thio]-5-(difluoromethoxy)- (9CI);2-[[(4-Chloro-3-methoxy-2-pyridyl)methyl]thio]-5-(difluoromethoxy)-1H-benzimidazole;5-(Difluoromethoxy)-2-[[(3-methoxy-4-chloro-2-pyridinyl)methyl]mercapto]-1H-benzimidazole;5-(Difluoromethoxy)-2-[[(4-chloro-3-methoxy-2-pyridinyl)methyl]thio]-1H-benzimidazole;
EINECS:	609-304-3
Density:	1.514 g/cm³
Boiling Point:	523.103 °C at 760 mmHg
Flash Point:	270.163 °C
PSA:	85.33000
LogP:	4.51360

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Specification

The 5-(Difluoromethoxy)-2[[(4-chloro-3-methoxy-2-pyridinyl)methyl]-thio]-1H-benzimidazole is an organic compound with the formula C₁₅H₁₂ClF₂N₃O₂S. The systematic name of this chemical is 2-{[(4-chloro-3-methoxypyridin-2-yl)methyl]sulfanyl}-6-(difluoromethoxy)-1H-benzimidazole. With the CAS registry number 368890-20-4, it is also named as 1H-benzimidazole, 2-[[(4-chloro-3-methoxy-2-pyridinyl)methyl]thio]-5-(difluoromethoxy)-.

Physical properties about 5-(Difluoromethoxy)-2[[(4-chloro-3-methoxy-2-pyridinyl)methyl]-thio]-1H-benzimidazole are: (1)ACD/LogP: 3.25; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 315; (5)ACD/BCF (pH 7.4): 318; (6)ACD/KOC (pH 5.5): 2127; (7)ACD/KOC (pH 7.4): 2147; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 85.33 Å²; (12)Index of Refraction: 1.644; (13)Molar Refractivity: 88.959 cm³; (14)Molar Volume: 245.571 cm³; (15)Polarizability: 35.266×10^-24cm³; (16)Surface Tension: 65.229 dyne/cm; (17)Density: 1.514 g/cm³; (18)Flash Point: 270.163 °C; (19)Enthalpy of Vaporization: 79.669 kJ/mol; (20)Boiling Point: 523.103 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)Oc3cc2c(nc(SCc1nccc(Cl)c1OC)n2)cc3
(2)InChI: InChI=1/C15H12ClF2N3O2S/c1-22-13-9(16)4-5-19-12(13)7-24-15-20-10-3-2-8(23-14(17)18)6-11(10)21-15/h2-6,14H,7H2,1H3,(H,20,21)
(3)InChIKey: SEHIARBDRGKABK-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C15H12ClF2N3O2S/c1-22-13-9(16)4-5-19-12(13)7-24-15-20-10-3-2-8(23-14(17)18)6-11(10)21-15/h2-6,14H,7H2,1H3,(H,20,21)
(5)Std. InChIKey: SEHIARBDRGKABK-UHFFFAOYSA-N