EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4JP6U95GAG
EPA CompTox	DTXSID0062925

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4JP6U95GAG

EPA CompTox

DTXSID0062925


InChI Key	IVVLMQPTQOLYDX-UHFFFAOYSA-N
Smiles	CCn1c(C)nc2c1cc(Cl)c(Cl)c2
InChI	InChI=1S/C10H10Cl2N2/c1-3-14-6(2)13-9-4-7(11)8(12)5-10(9)14/h4-5H,3H2,1-2H3

InChI Key

IVVLMQPTQOLYDX-UHFFFAOYSA-N

Smiles

CCn1c(C)nc2c1cc(Cl)c(Cl)c2

InChI

InChI=1S/C10H10Cl2N2/c1-3-14-6(2)13-9-4-7(11)8(12)5-10(9)14/h4-5H,3H2,1-2H3

Property Name	Value
Molecular Formula	C10H10Cl2N2
Molecular Weight	228.02
AlogP	3.67
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	17.82
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H10Cl2N2

Molecular Weight

228.02

AlogP

3.67

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

17.82

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	3237-62-5
NORMAN SUSDAT
FDA SRS	4JP6U95GAG
PubChem	76717
ChemSpider	69175.0

Resources

Reference

CAS NUMBER

3237-62-5

NORMAN SUSDAT

FDA SRS

4JP6U95GAG

PubChem

76717

ChemSpider

69175.0

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

1H-BENZIMIDAZOLE, 5,6-DICHLORO-1-ETHYL-2-METHYL-

Structure

Physicochemical Descriptors

Cross References