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

C18H18N4OS — CID 53172750

IUPAC3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCCc1nc2ccc(-c3noc(Cc4cccs4)n3)cc2n1CC
InChIInChI=1S/C18H18N4OS/c1-3-16-19-14-8-7-12(10-15(14)22(16)4-2)18-20-17(23-21-18)11-13-6-5-9-24-13/h5-10H,3-4,11H2,1-2H3
InChIKeyJWSSJPMCFGOCAM-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.32
Rot. Bonds5

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

3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 53172750) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID53172750
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCCc1nc2ccc(-c3noc(Cc4cccs4)n3)cc2n1CC
InChIInChI=1S/C18H18N4OS/c1-3-16-19-14-8-7-12(10-15(14)22(16)4-2)18-20-17(23-21-18)11-13-6-5-9-24-13/h5-10H,3-4,11H2,1-2H3
InChIKeyJWSSJPMCFGOCAM-UHFFFAOYSA-N
XLogP4.32
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 53172750) is 3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is CCc1nc2ccc(-c3noc(Cc4cccs4)n3)cc2n1CC.
What is the InChIKey of 3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is JWSSJPMCFGOCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-3-16-19-14-8-7-12(10-15(14)22(16)4-2)18-20-17(23-21-18)11-13-6-5-9-24-13/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 338.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diethylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53172750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).