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1H-Imidazole,2,5-bis(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)- (71360-31-1)

Identification
Name:1H-Imidazole,2,5-bis(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-
Synonyms:1H-Imidazole,2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)- (9CI); 2,4-(2-Chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole
CAS:71360-31-1
EINECS: 275-356-5
Molecular Formula: C23H18 Cl2 N2 O2
Molecular Weight: 425.30722
InChI: InChI=1/C23H18Cl2N2O2/c1-28-19-12-11-14(13-20(19)29-2)21-22(15-7-3-5-9-17(15)24)27-23(26-21)16-8-4-6-10-18(16)25/h3-13H,1-2H3,(H,26,27)
Molecular Structure: (C23H18Cl2N2O2) 1H-Imidazole,2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)- (9CI); 2,4-(2-Chlorophenyl)-5-(3,4-dim...
Properties
Flash Point: 303.6°C
Boiling Point: 578.4°C at 760 mmHg
Density:1.293g/cm3
Refractive index:1.621
Specification:

The IUPAC name of 2,4-Bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole is 2,5-bis(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole. With the CAS registry number 71360-31-1, it is also named as 1H-Imidazole,2,5-bis(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-. In addition, its molecular formula is C23H18Cl2N2O2 and its molecular weight is 425.30722.

The other characteristics of 2,4-Bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole can be summarized as: (1)EINECS: 275-356-5; (2)ACD/LogP: 5.07; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 5.07; (5)ACD/LogD (pH 7.4): 5.07; (6)ACD/BCF (pH 5.5): 4172.44; (7)ACD/BCF (pH 7.4): 4229.38; (8)ACD/KOC (pH 5.5): 13530.97; (9)ACD/KOC (pH 7.4): 13715.63; (10)H bond acceptors: 4; (11)H bond donors: 1; (12)Freely Rotating Bonds: 5; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 115.7 cm3; (15)Molar Volume: 328.7 cm3; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.293 g/cm3; (18)Flash Point: 303.6 °C; (19)Enthalpy of Vaporization: 83.36 kJ/mol; (20)Boiling Point: 578.4 °C at 760 mmHg; (21)Vapour Pressure: 8.96E-13 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc4ccccc4c2c(nc(c1c(Cl)cccc1)n2)c3ccc(OC)c(OC)c3
(2)InChI:InChI=1/C23H18Cl2N2O2/c1-28-19-12-11-14(13-20(19)29-2)21-22(15-7-3-5-9-17(15)24)27-23(26-21)16-8-4-6-10-18(16)25/h3-13H,1-2H3,(H,26,27)
(3)InChIKey:JEIHVVWXQSLCQF-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C23H18Cl2N2O2/c1-28-19-12-11-14(13-20(19)29-2)21-22(15-7-3-5-9-17(15)24)27-23(26-21)16-8-4-6-10-18(16)25/h3-13H,1-2H3,(H,26,27)
(5)Std. InChIKey:JEIHVVWXQSLCQF-UHFFFAOYSA-N

Flash Point: 303.6°C
Safety Data
 

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