2-[2-(Isobutylamino)benzylthio]imidazo[4,5-b]pyridine

HCID 14839437
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Basic information

Standard SMILES
CC(C)CNc1ccccc1CSc1nc2ncccc2[nH]1
InChIKey
NUTHIRTZTWCXPK-UHFFFAOYSA-N
Molecular formula
C17H20N4S
Average molar mass
312.4 g/mol

Names & identifiers

Preferred name
2-[2-(Isobutylamino)benzylthio]imidazo[4,5-b]pyridine
IUPAC
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-N-(2-methylpropyl)aniline

Names & synonyms

SCHEMBL9695371NUTHIRTZTWCXPK-UHFFFAOYSA-N2-[2-(isobutylamino)benzylthio]imidazo[4,5-b]pyridine

Database identifiers

PubChem CID
14839437

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
78.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
22

Related reactions

6 records
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Compound notes

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