EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10892357

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10892357


InChI Key	BNGLZYYFFZFNDJ-WUKNDPDISA-N
Smiles	CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCO
InChI	InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h16-17,25H,2-15,18-21H2,1H3/b17-16+

InChI Key

BNGLZYYFFZFNDJ-WUKNDPDISA-N

Smiles

CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCO

InChI

InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h16-17,25H,2-15,18-21H2,1H3/b17-16+

Property Name	Value
Molecular Formula	C22H42N2O1
Molecular Weight	350.33
AlogP	5.73
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	17.0
Polar Surface Area	35.83
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C22H42N2O1

Molecular Weight

350.33

AlogP

5.73

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

17.0

Polar Surface Area

35.83

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	27136-73-8
NORMAN SUSDAT
PubChem	6435915
ChemSpider	4940600.0

Resources

Reference

CAS NUMBER

27136-73-8

NORMAN SUSDAT

PubChem

6435915

ChemSpider

4940600.0

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

2-(HEPTADECENYL)-4,5-DIHYDRO-1H-IMIDAZOLE-1-ETHANOL

Structure

Physicochemical Descriptors

Cross References