CAS 21753-16-2 | 5-(1h-indol-3-ylmethyl)imidazolidine-2,4-dione | CAS Number 21753-16-2

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21753-16-2 | 5-(1h-indol-3-ylmethyl)imidazolidine-2,4-dione

CAS No: 21753-16-2 Catalog No: AG006ZWV MDL No:MFCD01850992

Product Description

Catalog Number:

AG006ZWV

Chemical Name:

5-(1h-indol-3-ylmethyl)imidazolidine-2,4-dione

CAS Number:

21753-16-2

Molecular Formula:

C12H11N3O2

Molecular Weight:

229.2346

MDL Number:

MFCD01850992

IUPAC Name:

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)

InChI Key:

RUUREKIGAKIKIL-UHFFFAOYSA-N

SMILES:

O=C1NC(=O)C(N1)Cc1c[nH]c2c1cccc2

NSC Number:

51848

Properties

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.239g/mol

Monoisotopic Mass:

229.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Structure-activity relationship study of novel necroptosis inhibitors.	Bioorganic & medicinal chemistry letters 20051115