5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C17H16N4OS2 — CID 25330962

IUPAC5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCC(C)Sc1nc2ccccc2n1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C17H16N4OS2/c1-11(2)24-17-18-12-6-3-4-7-13(12)21(17)10-15-19-16(20-22-15)14-8-5-9-23-14/h3-9,11H,10H2,1-2H3
InChIKeyLGKNDILALKDWIG-UHFFFAOYSA-N
MW356.48 g/mol
LogP4.70
Rot. Bonds5

About 5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 25330962) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is 5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID25330962
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC Name5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCC(C)Sc1nc2ccccc2n1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C17H16N4OS2/c1-11(2)24-17-18-12-6-3-4-7-13(12)21(17)10-15-19-16(20-22-15)14-8-5-9-23-14/h3-9,11H,10H2,1-2H3
InChIKeyLGKNDILALKDWIG-UHFFFAOYSA-N
XLogP4.70
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9291577
5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55592389
3-propan-2-yl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43048660
2-propan-2-ylsulfanyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 99842394
1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 43358218
3-pyrimidin-2-yl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
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(2S,3R)-3-pyrazol-1-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 95345421
(2R)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 27261231
methyl 2-[2,4-dioxo-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-3-yl]benzoate
CID 53101029
2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 43238093
4-propan-2-yl-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 63089919
1-ethyl-3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzimidazol-2-one
CID 16606341

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 25330962) is 5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is CC(C)Sc1nc2ccccc2n1Cc1nc(-c2cccs2)no1.
What is the InChIKey of 5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is LGKNDILALKDWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-11(2)24-17-18-12-6-3-4-7-13(12)21(17)10-15-19-16(20-22-15)14-8-5-9-23-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 356.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 25330962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).