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

C20H21N5OS — CID 53180005

IUPAC3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCCC3)no2)c1
InChIInChI=1S/C20H21N5OS/c1-2-8-24(9-3-1)10-11-25-14-21-16-13-15(6-7-17(16)25)19-22-20(26-23-19)18-5-4-12-27-18/h4-7,12-14H,1-3,8-11H2
InChIKeyGTWYURGYEQJJAG-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.30
Rot. Bonds5

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

3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 53180005) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID53180005
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCCC3)no2)c1
InChIInChI=1S/C20H21N5OS/c1-2-8-24(9-3-1)10-11-25-14-21-16-13-15(6-7-17(16)25)19-22-20(26-23-19)18-5-4-12-27-18/h4-7,12-14H,1-3,8-11H2
InChIKeyGTWYURGYEQJJAG-UHFFFAOYSA-N
XLogP4.30
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 53180005) is 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole is c1csc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCCC3)no2)c1.
What is the InChIKey of 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is GTWYURGYEQJJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-2-8-24(9-3-1)10-11-25-14-21-16-13-15(6-7-17(16)25)19-22-20(26-23-19)18-5-4-12-27-18/h4-7,12-14H,1-3,8-11H2.
What are the key properties of 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 379.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53180005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).