3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide

C26H26N6O2 — CID 175345603

IUPAC3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCn2cnc3cc(-c4noc(CCC5CCCC5)n4)ccc32)c1
InChIInChI=1S/C26H26N6O2/c27-16-19-6-3-7-21(14-19)26(33)28-12-13-32-17-29-22-15-20(9-10-23(22)32)25-30-24(34-31-25)11-8-18-4-1-2-5-18/h3,6-7,9-10,14-15,17-18H,1-2,4-5,8,11-13H2,(H,28,33)
InChIKeyLRXQBKPOYARCII-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.51
Rot. Bonds8

About 3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide

3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide (PubChem CID 175345603) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide
PubChem CID175345603
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCn2cnc3cc(-c4noc(CCC5CCCC5)n4)ccc32)c1
InChIInChI=1S/C26H26N6O2/c27-16-19-6-3-7-21(14-19)26(33)28-12-13-32-17-29-22-15-20(9-10-23(22)32)25-30-24(34-31-25)11-8-18-4-1-2-5-18/h3,6-7,9-10,14-15,17-18H,1-2,4-5,8,11-13H2,(H,28,33)
InChIKeyLRXQBKPOYARCII-UHFFFAOYSA-N
XLogP4.51
TPSA109.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide (CID 175345603) is 3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide is N#Cc1cccc(C(=O)NCCn2cnc3cc(-c4noc(CCC5CCCC5)n4)ccc32)c1.
What is the InChIKey of 3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide?
The InChIKey is LRXQBKPOYARCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c27-16-19-6-3-7-21(14-19)26(33)28-12-13-32-17-29-22-15-20(9-10-23(22)32)25-30-24(34-31-25)11-8-18-4-1-2-5-18/h3,6-7,9-10,14-15,17-18H,1-2,4-5,8,11-13H2,(H,28,33).
What are the key properties of 3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide?
3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide has a molecular weight of 454.53 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 175345603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).