3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

C23H22N6O — CID 53180015

IUPAC3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCCC3)no2)c1
InChIInChI=1S/C23H22N6O/c24-15-17-5-4-6-19(13-17)23-26-22(27-30-23)18-7-8-21-20(14-18)25-16-29(21)12-11-28-9-2-1-3-10-28/h4-8,13-14,16H,1-3,9-12H2
InChIKeyWEIKZMSREGOUNN-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.11
Rot. Bonds5

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

3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 53180015) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID53180015
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCCC3)no2)c1
InChIInChI=1S/C23H22N6O/c24-15-17-5-4-6-19(13-17)23-26-22(27-30-23)18-7-8-21-20(14-18)25-16-29(21)12-11-28-9-2-1-3-10-28/h4-8,13-14,16H,1-3,9-12H2
InChIKeyWEIKZMSREGOUNN-UHFFFAOYSA-N
XLogP4.11
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
CID 53041039
N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53031816
3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide
CID 175345603
5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030936
3-[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 53172620
1-(azepan-1-yl)-3-[5-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]propan-1-one
CID 53031902
3-[5-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031784
3-[5-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031712
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030861
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106524717
3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677191

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (CID 53180015) is 3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is N#Cc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCCC3)no2)c1.
What is the InChIKey of 3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is WEIKZMSREGOUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c24-15-17-5-4-6-19(13-17)23-26-22(27-30-23)18-7-8-21-20(14-18)25-16-29(21)12-11-28-9-2-1-3-10-28/h4-8,13-14,16H,1-3,9-12H2.
What are the key properties of 3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 398.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 53180015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).