EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID80232605

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID80232605


InChI Key	QYCKVZZMAXDBHQ-UHFFFAOYSA-N
Smiles	C1CC(CCN1)n1cnc2c1cccc2
InChI	InChI=1S/C12H15N3/c1-2-4-12-11(3-1)14-9-15(12)10-5-7-13-8-6-10/h1-4,9-10,13H,5-8H2

InChI Key

QYCKVZZMAXDBHQ-UHFFFAOYSA-N

Smiles

C1CC(CCN1)n1cnc2c1cccc2

InChI

InChI=1S/C12H15N3/c1-2-4-12-11(3-1)14-9-15(12)10-5-7-13-8-6-10/h1-4,9-10,13H,5-8H2

Property Name	Value
Molecular Formula	C12H15N3
Molecular Weight	201.13
AlogP	1.96
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	29.85
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H15N3

Molecular Weight

201.13

AlogP

1.96

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

29.85

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	83763-11-5
NORMAN SUSDAT
PubChem	3019262
ChemSpider	2286546.0

Resources

Reference

CAS NUMBER

83763-11-5

NORMAN SUSDAT

PubChem

3019262

ChemSpider

2286546.0

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-(4-PIPERIDINYL)-1H-BENZIMIDAZOLE

Structure

Physicochemical Descriptors

Cross References