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7711-39-9 | 1H-Benzimidazole-4,7-dione
CAS No: 7711-39-9 Catalog No: AG005QR2 MDL No:
Product Description
Catalog Number:
AG005QR2
Chemical Name:
1H-Benzimidazole-4,7-dione
CAS Number:
7711-39-9
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
IUPAC Name:
1H-benzimidazole-4,7-dione
InChI:
InChI=1S/C7H4N2O2/c10-4-1-2-5(11)7-6(4)8-3-9-7/h1-3H,(H,8,9)
InChI Key:
UVXXFOQQHBSTIC-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1[nH]cn2
UNII:
D6VU9BI62I
NSC Number:
90916
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Homopairings of the artificial nucleobase 1H-benzoimidazole-4,7-dione. | The journal of physical chemistry. B 20091210 |
| Self-assembly of artificial nucleobase 1H-benzimidazole-4,7-dione at the liquid/solid interface. | The journal of physical chemistry. B 20090625 |
| Antiproliferative effects of 6-anilino-5-chloro-1H-benzo[d]imidazole-4,7-dione in vascular smooth muscle cells. | Bioorganic & medicinal chemistry 20080115 |
| Synthesis and biological evaluation of 5-arylamino-1H-benzo[d]imidazole-4,7-diones as inhibitor of endothelial cell proliferation. | Bioorganic & medicinal chemistry 20060901 |
| Synthesis and biological evaluation of benzimidazole-4,7-diones that inhibit vascular smooth muscle cell proliferation. | Bioorganic & medicinal chemistry letters 20040705 |
| Benzimidazole-4,7-diones as inhibitors of protozoal (Toxoplasma gondii) purine nucleoside phosphorylase. | Bioorganic & medicinal chemistry letters 20020325 |
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