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116340-34-2 | Ethanone, 1-[4-[(1H-benzimidazol-2-ylphenylmethyl)amino]phenyl]-
CAS No: 116340-34-2 Catalog No: AG000C8Z MDL No:
Product Description
Catalog Number:
AG000C8Z
Chemical Name:
Ethanone, 1-[4-[(1H-benzimidazol-2-ylphenylmethyl)amino]phenyl]-
CAS Number:
116340-34-2
Molecular Formula:
C22H19N3O
Molecular Weight:
341.4058
IUPAC Name:
1-[4-[[1H-benzimidazol-2-yl(phenyl)methyl]amino]phenyl]ethanone
InChI:
InChI=1S/C22H19N3O/c1-15(26)16-11-13-18(14-12-16)23-21(17-7-3-2-4-8-17)22-24-19-9-5-6-10-20(19)25-22/h2-14,21,23H,1H3,(H,24,25)
InChI Key:
GGBHPAMHSGCGQH-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)NC(c1nc2c([nH]1)cccc2)c1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.414g/mol
Monoisotopic Mass:
341.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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