chempirical

2-Butyl-4-chloro-1-[[2′-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-methanol

C41H37ClN6OCAS 133909-99-6665.24 g/mol

Open in Covalent MOL file
NClOHNNNNN
AlcoholAryl halide

Properties

Molecular formula
C41H37ClN6O
Molar mass
665.24 g/mol
Exact mass
664.2717 Da
logP
8.58Crippen estimate
Polar surface area
81.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
12

Identifiers

CAS number
133909-99-6
SMILES
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIKey
QQPGGBNMTNDKEY-UHFFFAOYSA-N
InChI
InChI=1S/C41H37ClN6O/c1-2-3-23-38-43-39(42)37(29-49)47(38)28-30-24-26-31(27-25-30)35-21-13-14-22-36(35)40-44-46-48(45-40)41(32-15-7-4-8-16-32,33-17-9-5-10-18-33)34-19-11-6-12-20-34/h4-22,24-27,49H,2-3,23,28-29H2,1H3

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Names and synonyms

5 names
  • 1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2′-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-
  • 2-Butyl-4-chloro-1-[[2′-(2-triphenylmethyl-2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-methanol
  • Trityllosartan
  • 2-Butyl-4-chloro-1-[2′-[2-(triphenylmethyl)-2H-tetrazol-5-yl]-1,1′-biphenyl-4-yl]-1H-imidazole-5-methanol
  • [2-Butyl-5-chloro-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol

Work with 2-Butyl-4-chloro-1-[[2′-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-methanol

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

Elsewhere

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