chempirical

2,2′-Bis(2-chlorophenyl)-4,4′,5,5′-tetraphenyl-1,2′-biimidazole

C42H28Cl2N4CAS 7189-82-4659.61 g/mol

Open in Covalent MOL file
ClNNClNN
Aryl halideImine

Properties

Molecular formula
C42H28Cl2N4
Molar mass
659.61 g/mol
Exact mass
658.1691 Da
Melting point
208.5 °C
logP
10.84Crippen estimate
Polar surface area
42.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7

Identifiers

CAS number
7189-82-4
SMILES
Clc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1(c2ccccc2Cl)N=C(c2ccccc2)C(c2ccccc2)=N1
InChIKey
MHDULSOPQSUKBQ-UHFFFAOYSA-N
InChI
InChI=1S/C42H28Cl2N4/c43-35-27-15-13-25-33(35)41-45-39(31-21-9-3-10-22-31)40(32-23-11-4-12-24-32)48(41)42(34-26-14-16-28-36(34)44)46-37(29-17-5-1-6-18-29)38(47-42)30-19-7-2-8-20-30/h1-28H

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Names and synonyms

14 names · show all
  • 1H-Imidazole, 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-
  • Imidazole, 2-(o-chlorophenyl)-1-[2-(o-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-
  • 2-(2-Chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-1H-imidazole
  • 2,2′-Bis(o-chlorophenyl)-4,4′,5,5′-tetraphenyl-1,2′-biimidazole
  • 2,2′-Bis(o-chlorophenyl)-4,4′,5,5′-tetraphenyl-1,2′-diimidazole
  • 2,2′-Bis(2-chlorophenyl)-4,5,4′,5′-tetraphenyl-1,2′-biimidazole
  • 2-(2-Chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-1,3-diazol-2-yl]-4,5-diphenylimidazole
  • 2,2′-Bis(o-chlorophenyl)-4,5,4′,5′-tetraphenyl-1,2′-biimidazole
  • o-Cl-HABI
  • BIMD
  • Speedcure BCIM
  • 2,2-Bis-(2-chlorophenyl)-4,5,4′,5′-tetraphenyl-2′H-[1,2]biimidazolyl
  • 2-(2-Chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
  • HABI 1-2

Work with 2,2′-Bis(2-chlorophenyl)-4,4′,5,5′-tetraphenyl-1,2′-biimidazole

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

2-(O-Chlorophenyl)-4,5-diphenylimidazole1707-67-135 % similar 2-Chlorobiphenyl2051-60-733 % similar

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

Same formula

2,2′-Bis(2-chlorophenyl)-4,4′,5,5′-tetraphenylbiimidazole1707-68-2

Elsewhere

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