CAS 36309-62-3 | 5-butyl-5-phenylimidazolidine-2,4-dione | CAS Number 36309-62-3

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36309-62-3 | 5-butyl-5-phenylimidazolidine-2,4-dione

CAS No: 36309-62-3 Catalog No: AG019IBM MDL No:MFCD01648669

Product Description

Catalog Number:

AG019IBM

Chemical Name:

5-butyl-5-phenylimidazolidine-2,4-dione

CAS Number:

36309-62-3

Molecular Formula:

C13H16N2O2

Molecular Weight:

232.2783

MDL Number:

MFCD01648669

IUPAC Name:

5-butyl-5-phenylimidazolidine-2,4-dione

InChI:

InChI=1S/C13H16N2O2/c1-2-3-9-13(10-7-5-4-6-8-10)11(16)14-12(17)15-13/h4-8H,2-3,9H2,1H3,(H2,14,15,16,17)

InChI Key:

XNBWIJWUENNNSW-UHFFFAOYSA-N

SMILES:

CCCCC1(NC(=O)NC1=O)c1ccccc1

Properties

Complexity:

311

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.283g/mol

Monoisotopic Mass:

232.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Ligand-based design and synthesis of novel sodium channel blockers from a combined phenytoin-lidocaine pharmacophore.	Bioorganic & medicinal chemistry 20091001
Synthesis and structure-activity relationship studies for hydantoins and analogues as voltage-gated sodium channel ligands.	Journal of medicinal chemistry 20041216