4'-[[1,4'-Dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl]-methyl]-1,1'-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester

The 4'-[[1,4'-Dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl]-methyl]-1,1'-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester is an organic compound with the formula C₃₇H₃₈N₄O₂. The systematic name of this chemical is tert-butyl 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylate. With CAS registry number 144702-26-1, it is also named as Telmisartan. In addition, the molecular weight is 570.72.

The other characteristics of 4'-[[1,4'-Dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl]-methyl]-1,1'-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester can be summarized as: (1)ACD/LogP: 8.42; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 810556; (8)ACD/KOC (pH 7.4): 2877677; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 61.94 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 173.461 cm³; (15)Molar Volume: 490.973 cm³; (16)Polarizability: 68.765×10^-24cm³; (17)Surface Tension: 42.903 dyne/cm; (18)Enthalpy of Vaporization: 113.564 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES: O=C(OC(C)(C)C)c1ccccc1c2ccc(cc2)Cn3c4cc(cc(c4nc3CCC)C)c5nc6ccccc6n5C
2. InChI: InChI=1/C37H38N4O2/c1-7-12-33-39-34-24(2)21-27(35-38-30-15-10-11-16-31(30)40(35)6)22-32(34)41(33)23-25-17-19-26(20-18-25)28-13-8-9-14-29(28)36(42)43-37(3,4)5/h8-11,13-22H,7,12,23H2,1-6H3
3. InChIKey: JSCFLEBEWCTASN-UHFFFAOYAD
4. Std. InChI: InChI=1S/C37H38N4O2/c1-7-12-33-39-34-24(2)21-27(35-38-30-15-10-11-16-31(30)40(35)6)22-32(34)41(33)23-25-17-19-26(20-18-25)28-13-8-9-14-29(28)36(42)43-37(3,4)5/h8-11,13-22H,7,12,23H2,1-6H3
5. Std. InChIKey: JSCFLEBEWCTASN-UHFFFAOYSA-N