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Home > Imidazoles > 195528-88-2
195528-88-2 | Butanamide,3-oxo-N-(2-oxo-2H-benzimidazol-5-yl)-
CAS No: 195528-88-2 Catalog No: AG007489 MDL No:
Product Description
Catalog Number:
AG007489
Chemical Name:
Butanamide,3-oxo-N-(2-oxo-2H-benzimidazol-5-yl)-
CAS Number:
195528-88-2
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
IUPAC Name:
3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide
InChI:
InChI=1S/C11H9N3O3/c1-6(15)4-10(16)12-7-2-3-8-9(5-7)14-11(17)13-8/h2-3,5H,4H2,1H3,(H,12,16)
InChI Key:
KQNZKBRSEJLVEO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2=NC(=O)N=c2c1)CC(=O)C
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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