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1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methyl ester

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1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methyl ester

EINECS 604-139-3
CAS No. 139481-69-9 Density 1.357 g/cm3
PSA 107.81000 LogP 4.50710
Solubility N/A Melting Point 169-173°C
Formula C25H22N6O3 Boiling Point 704.488 °C at 760 mmHg
Molecular Weight 454.488 Flash Point 379.861 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 139481-69-9 (Ethyl-2-Ethoxy-1-[[(2'-(1h-Tetrazol-5-Yl)Biphenyl-4-Yl)Methyl]Benzimidazole]-7-Carboxylate) Hazard Symbols N/A
Synonyms

1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methyl ester (9CI);Methyl 1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate;Methyl 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate;

Article Data 12

1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methyl ester Specification

The CAS register number of Ethyl-2-ethoxy-1-[[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]benzimidazole]-7-carboxylate is 139481-69-9. It also can be called as 1H-benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, ethyl ester and the systematic name about this chemical is ethyl 2-ethoxy-1-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylate. The molecular formula about this chemical is C26H24N6O3 and molecular weight is 468.51. This chemical can be used as an intermediate in the preparation of Candesartan (C175575).

Physical properties about Ethyl-2-ethoxy-1-[[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]benzimidazole]-7-carboxylate are: (1)ACD/LogP: 6.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 573; (6)ACD/BCF (pH 7.4): 114; (7)ACD/KOC (pH 5.5): 1429; (8)ACD/KOC (pH 7.4): 284; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 107.81Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 132.115 cm3; (15)Molar Volume: 350.941 cm3; (16)Polarizability: 52.375x10-24cm3; (17)Surface Tension: 52.831 dyne/cm; (18)Enthalpy of Vaporization: 103.769 kJ/mol; (19)Boiling Point: 709.56 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cccc2nc(OCC)n(c12)Cc5ccc(c3ccccc3c4nnnn4)cc5
(2)InChI: InChI=1/C26H24N6O3/c1-3-34-25(33)21-10-7-11-22-23(21)32(26(27-22)35-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24-28-30-31-29-24/h5-15H,3-4,16H2,1-2H3,(H,28,29,30,31)
(3)InChIKey: BCPWNYREAURMOP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C26H24N6O3/c1-3-34-25(33)21-10-7-11-22-23(21)32(26(27-22)35-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24-28-30-31-29-24/h5-15H,3-4,16H2,1-2H3,(H,28,29,30,31)
(5)Std. InChIKey: BCPWNYREAURMOP-UHFFFAOYSA-N

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