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Home > Imidazoles > 24786-47-8
24786-47-8 | 1,3-Diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
CAS No: 24786-47-8 Catalog No: AG00I4QW MDL No:MFCD02625639
Product Description
Catalog Number:
AG00I4QW
Chemical Name:
1,3-Diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
CAS Number:
24786-47-8
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
MDL Number:
MFCD02625639
IUPAC Name:
1,3-diethyl-5-nitrobenzimidazol-2-one
InChI:
InChI=1S/C11H13N3O3/c1-3-12-9-6-5-8(14(16)17)7-10(9)13(4-2)11(12)15/h5-7H,3-4H2,1-2H3
InChI Key:
LHKZIUFTPWMHKX-UHFFFAOYSA-N
SMILES:
CCn1c(=O)n(c2c1cc(cc2)[N+](=O)[O-])CC
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Molecular docking and enzymatic evaluation to identify selective inhibitors of aspartate semialdehyde dehydrogenase. | Bioorganic & medicinal chemistry 20120501 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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