EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZK46WV5USB
EPA CompTox	DTXSID50239000

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZK46WV5USB

EPA CompTox

DTXSID50239000


InChI Key	YHELUCUIFBBFGG-UHFFFAOYSA-N
Smiles	BrN1C(=O)N(Br)C(C1=O)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C15H10Br2N2O2/c16-18-13(20)15(19(17)14(18)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChI Key

YHELUCUIFBBFGG-UHFFFAOYSA-N

Smiles

BrN1C(=O)N(Br)C(C1=O)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C15H10Br2N2O2/c16-18-13(20)15(19(17)14(18)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Property Name	Value
Molecular Formula	C15H10Br2N2O2
Molecular Weight	407.91
AlogP	3.81
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	40.62
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C15H10Br2N2O2

Molecular Weight

407.91

AlogP

3.81

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

40.62

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	92426-30-7
NORMAN SUSDAT
FDA SRS	ZK46WV5USB
PubChem	610306
ChemSpider	530529.0

Resources

Reference

CAS NUMBER

92426-30-7

NORMAN SUSDAT

FDA SRS

ZK46WV5USB

PubChem

610306

ChemSpider

530529.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

1,3-DIBROMO-5,5-DIPHENYLIMIDAZOLIDINE-2,4-DIONE

Structure

Physicochemical Descriptors

Cross References