EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	73Q9DT3U7J
EPA CompTox	DTXSID90236831

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

73Q9DT3U7J

EPA CompTox

DTXSID90236831


InChI Key	JGUXXFPMOABQHJ-UHFFFAOYSA-N
Smiles	Clc1cccc(Cl)c1C(=O)n1ccnc1c1ccccc1
InChI	InChI=1S/C16H10Cl2N2O/c17-12-7-4-8-13(18)14(12)16(21)20-10-9-19-15(20)11-5-2-1-3-6-11/h1-10H

InChI Key

JGUXXFPMOABQHJ-UHFFFAOYSA-N

Smiles

Clc1cccc(Cl)c1C(=O)n1ccnc1c1ccccc1

InChI

InChI=1S/C16H10Cl2N2O/c17-12-7-4-8-13(18)14(12)16(21)20-10-9-19-15(20)11-5-2-1-3-6-11/h1-10H

Property Name	Value
Molecular Formula	C16H10Cl2N2O1
Molecular Weight	316.02
AlogP	4.55
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	34.89
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H10Cl2N2O1

Molecular Weight

316.02

AlogP

4.55

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

34.89

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	88122-17-2
NORMAN SUSDAT
FDA SRS	73Q9DT3U7J
PubChem	3021176
ChemSpider	2287864.0

Resources

Reference

CAS NUMBER

88122-17-2

NORMAN SUSDAT

FDA SRS

73Q9DT3U7J

PubChem

3021176

ChemSpider

2287864.0

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...

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Last update: Monday, 3 November 2025

1-(2,6-DICHLOROBENZOYL)-2-PHENYL-1H-IMIDAZOLE

Structure

Physicochemical Descriptors

Cross References