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824394-72-1 | 1H-Benzimidazole, 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-
CAS No: 824394-72-1 Catalog No: AG004WND MDL No:
Product Description
Catalog Number:
AG004WND
Chemical Name:
1H-Benzimidazole, 2-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-
CAS Number:
824394-72-1
Molecular Formula:
C28H20N4
Molecular Weight:
412.4852
IUPAC Name:
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1H-benzimidazole
InChI:
InChI=1S/C28H20N4/c1-3-11-19(12-4-1)25-26(20-13-5-2-6-14-20)32-28(31-25)22-16-8-7-15-21(22)27-29-23-17-9-10-18-24(23)30-27/h1-18H,(H,29,30)(H,31,32)
InChI Key:
FXFYZJFPPSTGBE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1[nH]c(nc1c1ccccc1)c1ccccc1c1nc2c([nH]1)cccc2
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.169g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
412.496g/mol
Monoisotopic Mass:
412.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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