EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BNT494P6EH
EPA CompTox	DTXSID60178572

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BNT494P6EH

EPA CompTox

DTXSID60178572


InChI Key	YGSFFDHIYYOVHV-UHFFFAOYSA-N
Smiles	ClCCN1CCNC1=O
InChI	InChI=1S/C5H9ClN2O/c6-1-3-8-4-2-7-5(8)9/h1-4H2,(H,7,9)

InChI Key

YGSFFDHIYYOVHV-UHFFFAOYSA-N

Smiles

ClCCN1CCNC1=O

InChI

InChI=1S/C5H9ClN2O/c6-1-3-8-4-2-7-5(8)9/h1-4H2,(H,7,9)

Property Name	Value
Molecular Formula	C5H9Cl1N2O1
Molecular Weight	148.04
AlogP	0.45
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	35.83
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C5H9Cl1N2O1

Molecular Weight

148.04

AlogP

0.45

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

35.83

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	2387-20-4
NORMAN SUSDAT
FDA SRS	BNT494P6EH
PubChem	75435
ChemSpider	67966.0

Resources

Reference

CAS NUMBER

2387-20-4

NORMAN SUSDAT

FDA SRS

BNT494P6EH

PubChem

75435

ChemSpider

67966.0

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-CHLOROETHYL)IMIDAZOLIDIN-2-ONE

Structure

Physicochemical Descriptors

Cross References