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

C17H16N4OS — CID 53172758

IUPAC3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCc1nc2ccc(-c3noc(-c4cccs4)n3)cc2n1CC
InChIInChI=1S/C17H16N4OS/c1-3-15-18-12-8-7-11(10-13(12)21(15)4-2)16-19-17(22-20-16)14-6-5-9-23-14/h5-10H,3-4H2,1-2H3
InChIKeyRDFIEPBFWYKKOK-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.40
Rot. Bonds4

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

3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 53172758) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID53172758
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCc1nc2ccc(-c3noc(-c4cccs4)n3)cc2n1CC
InChIInChI=1S/C17H16N4OS/c1-3-15-18-12-8-7-11(10-13(12)21(15)4-2)16-19-17(22-20-16)14-6-5-9-23-14/h5-10H,3-4H2,1-2H3
InChIKeyRDFIEPBFWYKKOK-UHFFFAOYSA-N
XLogP4.40
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole
CID 53172748
3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53138563
3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53035951
N-[(1S)-1-[3-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 95102314
3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 25191147
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11471260
3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one
CID 53065217
3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
CID 53065755
3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53173247
piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 46321655
3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53075191
3-[4-(4-fluorophenoxy)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53103359

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 53172758) is 3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole is CCc1nc2ccc(-c3noc(-c4cccs4)n3)cc2n1CC.
What is the InChIKey of 3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is RDFIEPBFWYKKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-3-15-18-12-8-7-11(10-13(12)21(15)4-2)16-19-17(22-20-16)14-6-5-9-23-14/h5-10H,3-4H2,1-2H3.
What are the key properties of 3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 324.41 g/mol, XLogP of 4.40, 4 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-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53172758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).