Methyl 1-[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate

C₂₅H₂₁N₃O₃CAS 139481-44-0411.46 g/mol

Open in Covalent MOL file

Ester Ether Nitrile

Properties

Molecular formula: C₂₅H₂₁N₃O₃
Molar mass: 411.46 g/mol
Exact mass: 411.1583 Da
logP: 4.81Crippen estimate
Polar surface area: 77.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 6

Identifiers

CAS number

139481-44-0

SMILES

CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2C#N)cc1

InChIKey

KSXLHOFDCDKQLH-UHFFFAOYSA-N

InChI

InChI=1S/C25H21N3O3/c1-3-31-25-27-22-10-6-9-21(24(29)30-2)23(22)28(25)16-17-11-13-18(14-12-17)20-8-5-4-7-19(20)15-26/h4-14H,3,16H2,1-2H3

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Names and synonyms

4 names

1H-Benzimidazole-7-carboxylic acid, 1-[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]-2-ethoxy-, methyl ester
Methyl 1-[(2′-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate
1-[(2′-Cyano-1,1′-biphenyl-4-yl)methyl]-2-ethoxy-7-benzimidazolecarboxylic acid methyl ester
3-[(2′-Cyanobiphenyl-4-yl)methyl]-2-ethoxy-3H-benzimidazole-4-carboxylic acid methyl ester

Work with Methyl 1-[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-ethoxy-1-[[2′-(hydroxyamidino)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylate147403-65-470 % similar Methyl 2-ethoxy-1-[[2′-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylate147403-52-969 % similar Ethyl 2-ethoxy-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylate139481-58-660 % similar Candesartan139481-59-754 % similar Azilsartan147403-03-053 % similar Azilsartan medoxomil863031-21-451 % similar Candesartan cilexetil145040-37-549 % similar Azilsartan kamedoxomil863031-24-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(2,4-Dimethylphenyl)-3-hydroxy-4-[2-(2-hydroxyphenyl)diazenyl]-2-naphthalenecarboxamide523-67-1

Elsewhere

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