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Home > Imidazoles > 95633-34-4
95633-34-4 | 1H-Benzimidazole, 2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-
CAS No: 95633-34-4 Catalog No: AG005ZDU MDL No:
Product Description
Catalog Number:
AG005ZDU
Chemical Name:
1H-Benzimidazole, 2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-
CAS Number:
95633-34-4
Molecular Formula:
C23H17N5S
Molecular Weight:
395.4796
IUPAC Name:
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-benzimidazole
InChI:
InChI=1S/C23H17N5S/c1-3-9-16(10-4-1)21-22(17-11-5-2-6-12-17)27-28-23(26-21)29-15-20-24-18-13-7-8-14-19(18)25-20/h1-14H,15H2,(H,24,25)
InChI Key:
YIUPRUBNCGLKFS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nc(SCc2nc3c([nH]2)cccc3)nnc1c1ccccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.12g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.484g/mol
Monoisotopic Mass:
395.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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