Product Name

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide Specification

The CAS register number of Cyclooctanone, 3-methylene- is 5743-86-2. The IUPAC name about this chemical is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide. The molecular formula about this chemical is C23H21N3O2 and the molecular weight is 371.43174 [g/mol].

Physical properties about Cyclooctanone, 3-methylene- are: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.8; (4)ACD/LogD (pH 7.4): 5.09; (5)ACD/BCF (pH 5.5): 2238.1; (6)ACD/BCF (pH 7.4): 4307.27; (7)ACD/KOC (pH 5.5): 7197.11; (8)ACD/KOC (pH 7.4): 13850.99; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 47.36Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 111.92 cm3; (15)Molar Volume: 296 cm3; (16)Polarizability: 44.37x10-24cm3; (17)Surface Tension: 56.5 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccc(OCC)c1)Nc4c(ccc(c3nc2ccccc2n3)c4)C
(2)InChI: InChI=1/C23H21N3O2/c1-3-28-18-8-6-7-17(13-18)23(27)26-21-14-16(12-11-15(21)2)22-24-19-9-4-5-10-20(19)25-22/h4-14H,3H2,1-2H3,(H,24,25)(H,26,27)
(3)InChIKey: JKHKRZMPPKOAPZ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C23H21N3O2/c1-3-28-18-8-6-7-17(13-18)23(27)26-21-14-16(12-11-15(21)2)22-24-19-9-4-5-10-20(19)25-22/h4-14H,3H2,1-2H3,(H,24,25)(H,26,27)
(5)Std. InChIKey: JKHKRZMPPKOAPZ-UHFFFAOYSA-N

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