N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide

C25H26N6O3 — CID 53031816

IUPACN-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCC3)no2)c1
InChIInChI=1S/C25H26N6O3/c1-17(32)27-20-7-5-6-19(14-20)25-28-24(29-34-25)18-8-9-22-21(15-18)26-16-31(22)13-10-23(33)30-11-3-2-4-12-30/h5-9,14-16H,2-4,10-13H2,1H3,(H,27,32)
InChIKeyIOQMVLDHTNMNQL-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.11
Rot. Bonds6

About N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide

N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 53031816) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID53031816
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC NameN-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCC3)no2)c1
InChIInChI=1S/C25H26N6O3/c1-17(32)27-20-7-5-6-19(14-20)25-28-24(29-34-25)18-8-9-22-21(15-18)26-16-31(22)13-10-23(33)30-11-3-2-4-12-30/h5-9,14-16H,2-4,10-13H2,1H3,(H,27,32)
InChIKeyIOQMVLDHTNMNQL-UHFFFAOYSA-N
XLogP4.11
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031712
3-[5-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031784
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-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031788
3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53011635
3-[5-[5-[2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 71843375
3-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 171352776
3-[5-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031728
3-[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031731
3-[5-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031753
3-[3-[1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 53180015
3-[5-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53031830

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide (CID 53031816) is N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCC3)no2)c1.
What is the InChIKey of N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is IOQMVLDHTNMNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-17(32)27-20-7-5-6-19(14-20)25-28-24(29-34-25)18-8-9-22-21(15-18)26-16-31(22)13-10-23(33)30-11-3-2-4-12-30/h5-9,14-16H,2-4,10-13H2,1H3,(H,27,32).
What are the key properties of N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 458.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 53031816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).