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Home > Imidazoles > 194278-57-4
194278-57-4 | 2-Propen-1-one, 2-(1H-benzimidazol-2-ylthio)-1,3-diphenyl-
CAS No: 194278-57-4 Catalog No: AG007RPD MDL No:
Product Description
Catalog Number:
AG007RPD
Chemical Name:
2-Propen-1-one, 2-(1H-benzimidazol-2-ylthio)-1,3-diphenyl-
CAS Number:
194278-57-4
Molecular Formula:
C22H16N2OS
Molecular Weight:
356.4402
IUPAC Name:
2-(1H-benzimidazol-2-ylsulfanyl)-1,3-diphenylprop-2-en-1-one
InChI:
InChI=1S/C22H16N2OS/c25-21(17-11-5-2-6-12-17)20(15-16-9-3-1-4-10-16)26-22-23-18-13-7-8-14-19(18)24-22/h1-15H,(H,23,24)
InChI Key:
QPSKAGLQXRFVHO-UHFFFAOYSA-N
SMILES:
O=C(C(=Cc1ccccc1)Sc1[nH]c2c(n1)cccc2)c1ccccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.098g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.443g/mol
Monoisotopic Mass:
356.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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