6-[[(5-methyl-2-pyridyl)methyl]thio]-5H-1,3-dioxolo(4,5-f)benzimidazole

HCID 23313799
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Basic information

Standard SMILES
Cc1ccc(CSc2nc3cc4c(cc3[nH]2)OCO4)nc1
InChIKey
FTKQOUSCCFFFPQ-UHFFFAOYSA-N
Molecular formula
C15H13N3O2S
Average molar mass
299.3 g/mol
Monoisotopic mass
299.07284784

Names & identifiers

Preferred name
6-[[(5-methyl-2-pyridyl)methyl]thio]-5H-1,3-dioxolo(4,5-f)benzimidazole
IUPAC
6-[(5-methyl-2-pyridinyl)methylsulfanyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole

Names & synonyms

SCHEMBL10847591FTKQOUSCCFFFPQ-UHFFFAOYSA-N6-[[(5-methyl-2-pyridyl)methyl]thio]-5H-1,3-dioxolo(4,5-f)benzimidazole

Database identifiers

PubChem CID
23313799

Properties

Computed structural properties

XLogP
3
Topological polar surface area
85.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

3 records
New reaction record

Compound notes

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