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Home > Imidazoles > 40856-80-2
40856-80-2 | 2,4-Imidazolidinedione, 5-(1H-indol-3-ylmethyl)-, (S)-
CAS No: 40856-80-2 Catalog No: AG00743P MDL No:
Product Description
Catalog Number:
AG00743P
Chemical Name:
2,4-Imidazolidinedione, 5-(1H-indol-3-ylmethyl)-, (S)-
CAS Number:
40856-80-2
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
(5S)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
InChI:
InChI=1S/C12H11N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13H,5H2,(H2,14,15,16,17)/t10-/m0/s1
InChI Key:
RUUREKIGAKIKIL-JTQLQIEISA-N
SMILES:
O=C1NC(=O)[C@@H](N1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Privileged scaffolds or promiscuous binders: a comparative study on rhodanines and related heterocycles in medicinal chemistry. | Journal of medicinal chemistry 20120126 |
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