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Home > Imidazoles > 5157-15-3
5157-15-3 | 3a,6a-Diphenyloctahydroimidazo[4,5-d]imidazole-2,5-dione
CAS No: 5157-15-3 Catalog No: AG00D9PN MDL No:MFCD00022615
Product Description
Catalog Number:
AG00D9PN
Chemical Name:
3a,6a-Diphenyloctahydroimidazo[4,5-d]imidazole-2,5-dione
CAS Number:
5157-15-3
Molecular Formula:
C16H14N4O2
Molecular Weight:
294.3080
MDL Number:
MFCD00022615
IUPAC Name:
3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
InChI:
InChI=1S/C16H14N4O2/c21-13-17-15(11-7-3-1-4-8-11)16(19-13,20-14(22)18-15)12-9-5-2-6-10-12/h1-10H,(H2,17,19,21)(H2,18,20,22)
InChI Key:
WUDVGTHXCLJVJN-UHFFFAOYSA-N
SMILES:
O=C1NC2(C(N1)(NC(=O)N2)c1ccccc1)c1ccccc1
UNII:
C15I92344M
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
294.314g/mol
Monoisotopic Mass:
294.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| A molecular chalice with hydrophobic walls and a hydrophilic rim: self-assembly and complexation properties. | Chemical communications (Cambridge, England) 20111228 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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 |
| Oxygen binding and activation by the complexes of PY2- and TPA-appended diphenylglycoluril receptors with copper and other metals. | Dalton transactions (Cambridge, England : 2003) 20051107 |
| An oxonium hydrogen sulfate of 3a,6a-diphenylglycoluril. | Acta crystallographica. Section C, Crystal structure communications 20050801 |
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