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[1,1'-Biphenyl]-2-carbonitrile,4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]- (114772-55-3)

Identification
Name:[1,1'-Biphenyl]-2-carbonitrile,4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-
Synonyms:2-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)methyl]-5-hydroxymethylimidazole;4'-(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)-1,1'-biphenyl-2-carbonitrile;
CAS:114772-55-3
Molecular Formula: C22H22ClN3O
Molecular Weight: 379.88
InChI: InChI=1/C22H22ClN3O/c1-2-3-8-21-25-22(23)20(15-27)26(21)14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-24/h4-7,9-12,27H,2-3,8,14-15H2,1H3
Molecular Structure: (C22H22ClN3O) 2-Butyl-4-chloro-1-[(2'-cyanobiphenyl-4-yl)methyl]-5-hydroxymethylimidazole;4'-(2-Butyl-4-chloro-5-h...
Properties
Flash Point: 320.065°C
Boiling Point: 605.615°C at 760 mmHg
Density:1.19
Refractive index:1.609
Appearance:white
Specification:

The 4'-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)methyl]-1,1'-biphenyl-2-carbonitrile with its cas register number is 114772-55-3. It also can be called as  4'-[[2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-[1,1'-biphenyl]-2-carbonitrile and the Systematic name about this chemical is 4'-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}biphenyl-2-carbonitrile. It belongs to the Losartan Potassium.

Physical properties about 4'-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)methyl]-1,1'-biphenyl-2-carbonitrile are: (1)ACD/LogP: 4.00; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 324; (5)ACD/BCF (pH 7.4): 347; (6)ACD/KOC (pH 5.5): 2136; (7)ACD/KOC (pH 7.4): 2291; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 61.84Å2; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 110.483 cm3; (14)Molar Volume: 319.084 cm3; (15)Polarizability: 43.799x10-24cm3; (16)Surface Tension: 45.217 dyne/cm; (17)Enthalpy of Vaporization: 94.672 kJ/mol

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCc3nc(Cl)c(CO)n3Cc1ccc(cc1)c2ccccc2C#N
(2)InChI: InChI=1/C22H22ClN3O/c1-2-3-8-21-25-22(23)20(15-27)26(21)14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-24/h4-7,9-12,27H,2-3,8,14-15H2,1H3
(3)InChIKey: FGCNIDUBRIVYBP-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C22H22ClN3O/c1-2-3-8-21-25-22(23)20(15-27)26(21)14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-24/h4-7,9-12,27H,2-3,8,14-15H2,1H3
(5)Std. InChIKey: FGCNIDUBRIVYBP-UHFFFAOYSA-N

Flash Point: 320.065°C
Safety Data
 

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