3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile

C17H19N5OS — CID 25341977

IUPAC3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile
SMILESCC(C)(C)c1nc(CSc2nc3ccccc3n2CCC#N)no1
InChIInChI=1S/C17H19N5OS/c1-17(2,3)15-20-14(21-23-15)11-24-16-19-12-7-4-5-8-13(12)22(16)10-6-9-18/h4-5,7-8H,6,10-11H2,1-3H3
InChIKeyWZQHSWICDGJTQA-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.92
Rot. Bonds5

About 3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile

3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile (PubChem CID 25341977) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile
PubChem CID25341977
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile
SMILESCC(C)(C)c1nc(CSc2nc3ccccc3n2CCC#N)no1
InChIInChI=1S/C17H19N5OS/c1-17(2,3)15-20-14(21-23-15)11-24-16-19-12-7-4-5-8-13(12)22(16)10-6-9-18/h4-5,7-8H,6,10-11H2,1-3H3
InChIKeyWZQHSWICDGJTQA-UHFFFAOYSA-N
XLogP3.92
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile?
The IUPAC name of 3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile (CID 25341977) is 3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile?
The canonical SMILES for 3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile is CC(C)(C)c1nc(CSc2nc3ccccc3n2CCC#N)no1.
What is the InChIKey of 3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile?
The InChIKey is WZQHSWICDGJTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-17(2,3)15-20-14(21-23-15)11-24-16-19-12-7-4-5-8-13(12)22(16)10-6-9-18/h4-5,7-8H,6,10-11H2,1-3H3.
What are the key properties of 3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile?
3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile has a molecular weight of 341.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile is sourced from PubChem (CID 25341977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).