4'-({2-Butyl-6-[(Cyclohexylcarbamoyl)Amino]-1H-Benzimidazol-1-Yl}Methyl)-2-Biphenylcarboxylic Acid

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Properties Simple | Detailed

Formula C32H36N4O3
IUPAC Name 1-[2-butyl-3-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromene-7,8,9,10-tetraid-3-yl)methyl]benzimidazol-1-ium-5-id-5-yl]-3-cyclohexyl-urea
Molecular Mass 524.653 g·mol−1
Heat of Formation -329.1 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 644.58 Å 3
Surface Area 537.84 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1'-biphenyl)-2-carboxylic acid, 4'-((2-butyl-6-(((cyclohexylamino)carbonyl)amino)-1h-benzimidazo-1-yl)methyl)-
  • 2-[4-[[2-butyl-6-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid
  • 2-[4-[[2-butyl-6-[[(cyclohexylamino)-oxomethyl]amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid
  • 4'-((2-butyl-6-(((cyclohexylamino)carbonyl)amino)-1h-benzimidazo-1-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid
  • 4'-((2-n-butyl-6-cyclohexylaminocarbonylaminobenzimidazole-1-yl)methyl)biphenyl-2-carboxylic acid
  • bibs 39
  • bibs-39
CAS Number(s)
  • 133085-33-3
InChIKey OLQFKFSAJNUOPT-UHFFFAOYSA-N
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