2-[(triphenylmethyl)thio]-1H-benzimidazole

1. Names and Identifiers

1.5 Inchi: InChI=1S/C26H20N2S/c1-4-12-20(13-5-1)26(21-14-6-2-7-15-21,22-16-8-3-9-17-22)29-25-27-23-18-10-11-19-24(23)28-25/h1-19H,(H,27,28)

1.7 Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC4=NC5=CC=CC=C5N4

1.8 Isomers Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC4=NC5=CC=CC=C5N4

2. Computed Properties

Molecular Weight：392.5g/mol
Molecular Formula：C₂₆H₂₀N₂S
Compound Is Canonicalized：True
XLogP3-AA：392.13471982
Monoisotopic Mass：392.13471982
Complexity：459
Rotatable Bond Count：5
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：54
Heavy Atom Count：：29
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7AABAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHAQQAAAADAiBXgAx0LbJkAigAyRiZACC0i3hErAJmSAwdJiIaKLgmZGUIAhokAJIyCcQgMAOgAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

3. Realated Product Infomation

1. Names and Identifiers