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

C20H21N5OS — CID 53180014

IUPAC3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCCC3)no2)cs1
InChIInChI=1S/C20H21N5OS/c1-2-7-24(8-3-1)9-10-25-14-21-17-12-15(4-5-18(17)25)19-22-20(26-23-19)16-6-11-27-13-16/h4-6,11-14H,1-3,7-10H2
InChIKeyWTHXLRCDNIEMRD-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.30
Rot. Bonds5

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

3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 53180014) 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-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID53180014
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCCC3)no2)cs1
InChIInChI=1S/C20H21N5OS/c1-2-7-24(8-3-1)9-10-25-14-21-17-12-15(4-5-18(17)25)19-22-20(26-23-19)16-6-11-27-13-16/h4-6,11-14H,1-3,7-10H2
InChIKeyWTHXLRCDNIEMRD-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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Related Compounds

5-Phenyl-3-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 44274437
[5-[3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 127049057
US10894784, Example 101.24
CID 129245349
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277680
1-{2-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1H-benzimidazole
CID 51045136
N-[(1-Methyl-1H-1,3-benzodiazol-5-YL)methyl]thiophene-3-carboxamide
CID 53014018
5-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-YL]-1-[2-(pyrrolidin-1-YL)ethyl]-1H-1,3-benzodiazole
CID 53041032
5-[5-(3-Fluorophenyl)-1,2,4-oxadiazol-3-YL]-1-[2-(pyrrolidin-1-YL)ethyl]-1H-1,3-benzodiazole
CID 53041042
5-[5-(2,5-Difluorophenyl)-1,2,4-oxadiazol-3-YL]-1-[2-(pyrrolidin-1-YL)ethyl]-1H-1,3-benzodiazole
CID 53041046
3-(1,2-diethyl-1H-1,3-benzimidazol-6-yl)-5-(3-thienyl)-1,2,4-oxadiazole
CID 53172761
N-{[3-(1-Propyl-1H-1,3-benzodiazol-5-YL)-1,2,4-oxadiazol-5-YL]methyl}thiophene-2-carboxamide
CID 22586354
3-(3-Pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 2797603

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 53180014) is 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-3-yl-1,2,4-oxadiazole is c1cc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCCC3)no2)cs1.
What is the InChIKey of 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is WTHXLRCDNIEMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-2-7-24(8-3-1)9-10-25-14-21-17-12-15(4-5-18(17)25)19-22-20(26-23-19)16-6-11-27-13-16/h4-6,11-14H,1-3,7-10H2.
What are the key properties of 3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-5-thiophen-3-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-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53180014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).