3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole

C15H12N4OS — CID 51045136

IUPAC3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2nc(CCn3cnc4ccccc43)no2)c1
InChIInChI=1S/C15H12N4OS/c1-2-5-12-11(4-1)16-10-19(12)8-7-14-17-15(20-18-14)13-6-3-9-21-13/h1-6,9-10H,7-8H2
InChIKeyMJKFMUYTXWHDGH-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.39
Rot. Bonds4

About 3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole

3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 51045136) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID51045136
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2nc(CCn3cnc4ccccc43)no2)c1
InChIInChI=1S/C15H12N4OS/c1-2-5-12-11(4-1)16-10-19(12)8-7-14-17-15(20-18-14)13-6-3-9-21-13/h1-6,9-10H,7-8H2
InChIKeyMJKFMUYTXWHDGH-UHFFFAOYSA-N
XLogP3.39
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 51045136) is 3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole is c1csc(-c2nc(CCn3cnc4ccccc43)no2)c1.
What is the InChIKey of 3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is MJKFMUYTXWHDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-2-5-12-11(4-1)16-10-19(12)8-7-14-17-15(20-18-14)13-6-3-9-21-13/h1-6,9-10H,7-8H2.
What are the key properties of 3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 296.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzimidazol-1-yl)ethyl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 51045136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).