InChI: | InChI=1/C18H13N3O3/c22-16-8-11-4-2-1-3-10(11)7-13(16)17(23)19-12-5-6-14-15(9-12)21-18(24)20-14/h1-9,22H,(H,19,23)(H2,20,21,24) |
Specification: |
The cas register number of N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-2-naphthalenecarboxamide is 26848-40-8. It also can be called as 3-Hydroxy-N-(2-oxo-1,3-dihydrobenzoimidazol-5-yl)naphthalene-2-carboxamide and the IUPAC Name about this chemical is 3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide.
Physical properties about N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-2-naphthalenecarboxamide are: (1)ACD/LogP: 3.95; (2)ACD/LogD (pH 5.5): 3.95; (3)ACD/LogD (pH 7.4): 3.91; (4)ACD/BCF (pH 5.5): 592.97; (5)ACD/BCF (pH 7.4): 544.42; (6)ACD/KOC (pH 5.5): 3359.77; (7)ACD/KOC (pH 7.4): 3084.7; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.09Å2; (12)Index of Refraction: 1.764; (13)Molar Refractivity: 90.33 cm3; (14)Molar Volume: 218.5 cm3; (15)Polarizability: 35.8x10-24cm3; (16)Surface Tension: 73.4 dyne/cm; (17)Enthalpy of Vaporization: 67.73 kJ/mol; (18)Vapour Pressure: 5.28E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC4=C(C=C3)NC(=O)N4)O
(2)InChI: InChI=1S/C18H13N3O3/c22-16-8-11-4-2-1-3-10(11)7-13(16)17(23)19-12-5-6-14-15(9-12)21-18(24)20-14/h1-9,22H,(H,19,23)(H2,20,21,24)
(3)InChIKey: QSDHDEWDUFYUCO-UHFFFAOYSA-N
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