3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C20H23N5O2 — CID 53011635

IUPAC3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCn1cnc2cc(-c3noc(C4CCC4)n3)ccc21)N1CCCC1
InChIInChI=1S/C20H23N5O2/c26-18(24-9-1-2-10-24)8-11-25-13-21-16-12-15(6-7-17(16)25)19-22-20(27-23-19)14-4-3-5-14/h6-7,12-14H,1-5,8-11H2
InChIKeyBERLCPDPLVSIIP-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.37
Rot. Bonds5

About 3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 53011635) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID53011635
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCn1cnc2cc(-c3noc(C4CCC4)n3)ccc21)N1CCCC1
InChIInChI=1S/C20H23N5O2/c26-18(24-9-1-2-10-24)8-11-25-13-21-16-12-15(6-7-17(16)25)19-22-20(27-23-19)14-4-3-5-14/h6-7,12-14H,1-5,8-11H2
InChIKeyBERLCPDPLVSIIP-UHFFFAOYSA-N
XLogP3.37
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclobutyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
CID 53041039
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-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031712
3-[5-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031728
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-[2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 71843375
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-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031753
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
N-[3-[3-[1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53031816
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 3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 53011635) is 3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCn1cnc2cc(-c3noc(C4CCC4)n3)ccc21)N1CCCC1.
What is the InChIKey of 3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BERLCPDPLVSIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-18(24-9-1-2-10-24)8-11-25-13-21-16-12-15(6-7-17(16)25)19-22-20(27-23-19)14-4-3-5-14/h6-7,12-14H,1-5,8-11H2.
What are the key properties of 3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 365.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 53011635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).