3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole

C16H14N4OS — CID 53172703

IUPAC3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCC(C)n1cnc2ccc(-c3noc(-c4cccs4)n3)cc21
InChIInChI=1S/C16H14N4OS/c1-10(2)20-9-17-12-6-5-11(8-13(12)20)15-18-16(21-19-15)14-4-3-7-22-14/h3-10H,1-2H3
InChIKeySIAJGIBYYWDENP-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.40
Rot. Bonds3

About 3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole

3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 53172703) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID53172703
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCC(C)n1cnc2ccc(-c3noc(-c4cccs4)n3)cc21
InChIInChI=1S/C16H14N4OS/c1-10(2)20-9-17-12-6-5-11(8-13(12)20)15-18-16(21-19-15)14-4-3-7-22-14/h3-10H,1-2H3
InChIKeySIAJGIBYYWDENP-UHFFFAOYSA-N
XLogP4.40
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 53172703) is 3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole is CC(C)n1cnc2ccc(-c3noc(-c4cccs4)n3)cc21.
What is the InChIKey of 3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is SIAJGIBYYWDENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-10(2)20-9-17-12-6-5-11(8-13(12)20)15-18-16(21-19-15)14-4-3-7-22-14/h3-10H,1-2H3.
What are the key properties of 3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 310.38 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-ylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53172703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).