2-[2-(N-isobutyl-N-methylamino)benzylthio]imidazo[4,5-b]pyridine

HCID 14839445
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Basic information

Standard SMILES
CC(C)CN(C)c1ccccc1CSc1nc2ncccc2[nH]1
InChIKey
BRAUDCOWYDWZGX-UHFFFAOYSA-N
Molecular formula
C18H22N4S
Average molar mass
326.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL9693793BRAUDCOWYDWZGX-UHFFFAOYSA-N2-[2-(N-isobutyl-N-methylamino)benzylthio]imidazo[4,5-b]pyridine

Database identifiers

PubChem CID
14839445

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
70.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
23

Related reactions

6 records
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Compound notes

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