EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90207546

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90207546


InChI Key	BROYWHABVCPAPN-UHFFFAOYSA-N
Smiles	CC1(C)N(Cl)C(=O)N(Cl)C1(C)C
InChI	InChI=1S/C7H12Cl2N2O/c1-6(2)7(3,4)11(9)5(12)10(6)8/h1-4H3

InChI Key

BROYWHABVCPAPN-UHFFFAOYSA-N

Smiles

CC1(C)N(Cl)C(=O)N(Cl)C1(C)C

InChI

InChI=1S/C7H12Cl2N2O/c1-6(2)7(3,4)11(9)5(12)10(6)8/h1-4H3

Property Name	Value
Molecular Formula	C7H12Cl2N2O1
Molecular Weight	210.03
AlogP	2.59
Hydrogen Bond Acceptor	1.0
Polar Surface Area	23.55
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C7H12Cl2N2O1

Molecular Weight

210.03

AlogP

2.59

Hydrogen Bond Acceptor

1.0

Polar Surface Area

23.55

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	58816-20-9
NORMAN SUSDAT
PubChem	124439
ChemSpider	83662.0

Resources

Reference

CAS NUMBER

58816-20-9

NORMAN SUSDAT

PubChem

124439

ChemSpider

83662.0

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-DICHLORO-4,4,5,5-TETRAMETHYL-2-IMIDAZOLIDINONE

Structure

Physicochemical Descriptors

Cross References