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Home > Imidazoles > 5453-51-0
5453-51-0 | 5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
CAS No: 5453-51-0 Catalog No: AG00DJ2V MDL No:MFCD01445830
Product Description
Catalog Number:
AG00DJ2V
Chemical Name:
5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
CAS Number:
5453-51-0
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
MDL Number:
MFCD01445830
IUPAC Name:
4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-dihydroimidazol-2-one
InChI:
InChI=1S/C12H9N3O2/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:
RBTNARRBWGUBEI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Cc2c[nH]c3c2cccc3)N1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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