Basic information
- Standard SMILES
CC(C)CNc1ccccc1CS(=O)c1nc2ncccc2[nH]1- InChIKey
LXUGEVFNLYGRQX-UHFFFAOYSA-N- Molecular formula
- C17H20N4OS
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.13578245
Names & identifiers
- Preferred name
- 2-[2-(Isobutylamino)benzylsulfinyl]imidazo[4,5-b]pyridine
- IUPAC
- 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfinylmethyl)-N-(2-methylpropyl)aniline
Names & synonyms
SCHEMBL9694993LXUGEVFNLYGRQX-UHFFFAOYSA-N2-[2-(isobutylamino)benzylsulfinyl]imidazo[4,5-b]pyridine
Database identifiers
- PubChem CID
- 14839438
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Related reactions
3 records
Compound notes
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