3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

C17H16N4OS — CID 53172732

IUPAC3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCCCn1cnc2ccc(-c3noc(Cc4cccs4)n3)cc21
InChIInChI=1S/C17H16N4OS/c1-2-7-21-11-18-14-6-5-12(9-15(14)21)17-19-16(22-20-17)10-13-4-3-8-23-13/h3-6,8-9,11H,2,7,10H2,1H3
InChIKeyFTXLADFAEGDSAH-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.15
Rot. Bonds5

About 3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 53172732) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID53172732
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCCCn1cnc2ccc(-c3noc(Cc4cccs4)n3)cc21
InChIInChI=1S/C17H16N4OS/c1-2-7-21-11-18-14-6-5-12(9-15(14)21)17-19-16(22-20-17)10-13-4-3-8-23-13/h3-6,8-9,11H,2,7,10H2,1H3
InChIKeyFTXLADFAEGDSAH-UHFFFAOYSA-N
XLogP4.15
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 53172732) is 3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is CCCn1cnc2ccc(-c3noc(Cc4cccs4)n3)cc21.
What is the InChIKey of 3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is FTXLADFAEGDSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-2-7-21-11-18-14-6-5-12(9-15(14)21)17-19-16(22-20-17)10-13-4-3-8-23-13/h3-6,8-9,11H,2,7,10H2,1H3.
What are the key properties of 3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 324.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53172732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).