chempirical

Ethyl 2-ethoxy-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylate

C26H24N6O3CAS 139481-58-6468.52 g/mol

Open in Covalent MOL file
OONONNNNHN
EsterEther

Properties

Molecular formula
C26H24N6O3
Molar mass
468.52 g/mol
Exact mass
468.1910 Da
logP
4.51Crippen estimate
Polar surface area
107.8 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
8

Identifiers

CAS number
139481-58-6
SMILES
CCOC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c12
InChIKey
BCPWNYREAURMOP-UHFFFAOYSA-N
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)

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Names and synonyms

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

Work with Ethyl 2-ethoxy-1-[[2′-(2H-tetrazol-5-yl)[1,1′-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

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

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