N-((1H-BENZO[D]IMIDAZOL-2-YL)METHYL)ETHANAMINE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key NRTRCWAOYNTJAL-UHFFFAOYSA-N
Smiles CCNCc1nc2ccccc2[nH]1
InChI
InChI=1S/C10H13N3/c1-2-11-7-10-12-8-5-3-4-6-9(8)13-10/h3-6,11H,2,7H2,1H3,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13N3
Molecular Weight 175.23
AlogP 1.43
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 40.71
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 13.0

Cross References

Resources Reference
ChEMBL CHEMBL2260624
PubChem 12820951
SureChEMBL SCHEMBL8443937
CONTENTS