CAS 93879-40-4 | 5-ETHYL-5-PHENYL-3-BENZYL-2,4-IMIDAZOLIDINEDIONE | CAS Number 93879-40-4

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93879-40-4 | 5-ETHYL-5-PHENYL-3-BENZYL-2,4-IMIDAZOLIDINEDIONE

CAS No: 93879-40-4 Catalog No: AG006C2B MDL No:

Product Description

Catalog Number:

AG006C2B

Chemical Name:

5-ETHYL-5-PHENYL-3-BENZYL-2,4-IMIDAZOLIDINEDIONE

CAS Number:

93879-40-4

Molecular Formula:

C18H18N2O2

Molecular Weight:

294.3477

IUPAC Name:

3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione

InChI:

InChI=1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)

InChI Key:

ZMZDHUHMXXALFX-UHFFFAOYSA-N

SMILES:

CCC1(NC(=O)N(C1=O)Cc1ccccc1)c1ccccc1

Properties

Complexity:

425

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

294.354g/mol

Monoisotopic Mass:

294.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Comparative study of the oxidation of propranolol enantiomers in hepatic and small intestinal microsomes from cynomolgus and marmoset monkeys.	Chemico-biological interactions 20100105
Identification of the human cytochrome P450 enzymes involved in the two oxidative steps in the bioactivation of clopidogrel to its pharmacologically active metabolite.	Drug metabolism and disposition: the biological fate of chemicals 20100101
The metabolism of CYP2C9 and CYP2C19 for gliclazide by homology modeling and docking study.	European journal of medicinal chemistry 20090201
Automated screening with confirmation of mechanism-based inactivation of CYP3A4, CYP2C9, CYP2C19, CYP2D6, and CYP1A2 in pooled human liver microsomes.	Drug metabolism and disposition: the biological fate of chemicals 20050801
Validated assays for human cytochrome P450 activities.	Drug metabolism and disposition: the biological fate of chemicals 20040601