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22509-11-1

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Basic Information
CAS No.: 22509-11-1
Name: 1H-Benzimidazole,2-(1H-imidazol-1-yl)-1-methyl-(9CI)
Article Data: 3
Molecular Structure:
Molecular Structure of 22509-11-1 (1H-Benzimidazole,2-(1H-imidazol-1-yl)-1-methyl-(9CI))
Formula: C11H10N4
Molecular Weight: 198.227
Synonyms: Benzimidazole,2-imidazol-1-yl-1-methyl- (8CI);2-(1H-Imidazol-1-yl)-1-methyl-1H-benzimidazole;
Density: 1.28 g/cm3
Boiling Point: 421.4 °C at 760 mmHg
Flash Point: 208.6 °C
PSA: 35.64000
LogP: 1.75900
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Specification

The 1H-Benzimidazole,2-(1H-imidazol-1-yl)-1-methyl-, with the CAS registry number 22509-11-1, is also known as Benzimidazole,2-imidazol-1-yl-1-methyl- (8CI). It belongs to the product category of Benzimidazole. This chemical's molecular formula is C11H10N4 and molecular weight is 198.23. What's more, its systematic name is 2-(1H-imidazol-1-yl)-1-methyl-1H-benzimidazole. 

Physical properties of 1H-Benzimidazole,2-(1H-imidazol-1-yl)-1-methyl- are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 15.59; (6)ACD/BCF (pH 7.4): 22.67; (7)ACD/KOC (pH 5.5): 223.08; (8)ACD/KOC (pH 7.4): 324.45; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.64 Å2; (13)Index of Refraction: 1.696 ; (14)Molar Refractivity: 59.42 cm3; (15)Molar Volume: 154.2 cm3; (16)Polarizability: 23.55×10-24cm3; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 208.6 °C; (20)Enthalpy of Vaporization: 67.54 kJ/mol; (21)Boiling Point: 421.4 °C at 760 mmHg; (22)Vapour Pressure: 2.62E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cn1c3ccccc3nc1n2ccnc2
(2)InChI: InChI=1S/C11H10N4/c1-14-10-5-3-2-4-9(10)13-11(14)15-7-6-12-8-15/h2-8H,1H3
(3)InChIKey: IAHGMMXTFVWGTJ-UHFFFAOYSA-N