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Home > Imidazoles > 432001-00-8
432001-00-8 | 5-(3-Methyl-benzylidene)-imidazolidine-2,4-dione
CAS No: 432001-00-8 Catalog No: AG01672O MDL No:
Product Description
Catalog Number:
AG01672O
Chemical Name:
5-(3-Methyl-benzylidene)-imidazolidine-2,4-dione
CAS Number:
432001-00-8
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
(5E)-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
InChI:
InChI=1S/C11H10N2O2/c1-7-3-2-4-8(5-7)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6+
InChI Key:
XWKLMEXYFOBTGK-RMKNXTFCSA-N
SMILES:
O=C1NC(=O)/C(=C/c2cccc(c2)C)/N1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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