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Home > Imidazoles > 10258-18-1
10258-18-1 | 4-Imidazolidinone, 5-(1H-indol-3-ylmethylene)-2-thioxo-
CAS No: 10258-18-1 Catalog No: AG0007TE MDL No:
Product Description
Catalog Number:
AG0007TE
Chemical Name:
4-Imidazolidinone, 5-(1H-indol-3-ylmethylene)-2-thioxo-
CAS Number:
10258-18-1
Molecular Formula:
C12H9N3OS
Molecular Weight:
243.2844
IUPAC Name:
4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C12H9N3OS/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,16H,(H2,14,15,17)
InChI Key:
JJSXJURNLXDPNB-UHFFFAOYSA-N
SMILES:
S=C1NC(=O)C(=Cc2c[nH]c3c2cccc3)N1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.284g/mol
Monoisotopic Mass:
243.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Anti-inflammatory and antinociceptive activities of indole-imidazolidine derivatives. | International immunopharmacology 20111101 |
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