chempirical

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

C25H24N4O4CAS 147403-65-4444.49 g/mol

Open in Covalent MOL file
ONOONNHHNOH
AmidineEsterEther

Properties

Molecular formula
C25H24N4O4
Molar mass
444.49 g/mol
Exact mass
444.1798 Da
Melting point
207–209 °C
logP
4.24Crippen estimate
Polar surface area
109.5 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
147403-65-4
SMILES
CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2C(=N)NO)cc1
InChIKey
OQJREYQHKLULTR-UHFFFAOYSA-N
InChI
InChI=1S/C25H24N4O4/c1-3-33-25-27-21-10-6-9-20(24(30)32-2)22(21)29(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23(26)28-31/h4-14,31H,3,15H2,1-2H3,(H2,26,28)

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Names and synonyms

2 names
  • 1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2′-[(hydroxyamino)iminomethyl][1,1′-biphenyl]-4-yl]methyl]-, methyl ester
  • 2-Ethoxy-1-[[2′-((hydroxyamino)(imino)methyl)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid methyl ester

Work with Methyl 2-ethoxy-1-[[2′-(hydroxyamidino)biphenyl-4-yl]methyl]-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 1-[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate139481-44-070 % similar Methyl 2-ethoxy-1-[[2′-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylate147403-52-965 % similar Ethyl 2-ethoxy-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylate139481-58-657 % similar Candesartan139481-59-753 % similar Azilsartan147403-03-052 % similar Azilsartan medoxomil863031-21-448 % similar Candesartan cilexetil145040-37-547 % similar Azilsartan kamedoxomil863031-24-747 % similar

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

Same formula

Disperse yellow 231143067-35-0

Elsewhere

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