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

C25H26FN5O2 — CID 171348388

IUPACN-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide
SMILESO=C(NCCn1cnc2cc(-c3noc(CCC4CCCC4)n3)ccc21)c1cccc(F)c1
InChIInChI=1S/C25H26FN5O2/c26-20-7-3-6-19(14-20)25(32)27-12-13-31-16-28-21-15-18(9-10-22(21)31)24-29-23(33-30-24)11-8-17-4-1-2-5-17/h3,6-7,9-10,14-17H,1-2,4-5,8,11-13H2,(H,27,32)
InChIKeyJGPOZAYNLUGXCP-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.78
Rot. Bonds8

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

N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide (PubChem CID 171348388) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide
PubChem CID171348388
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide
SMILESO=C(NCCn1cnc2cc(-c3noc(CCC4CCCC4)n3)ccc21)c1cccc(F)c1
InChIInChI=1S/C25H26FN5O2/c26-20-7-3-6-19(14-20)25(32)27-12-13-31-16-28-21-15-18(9-10-22(21)31)24-29-23(33-30-24)11-8-17-4-1-2-5-17/h3,6-7,9-10,14-17H,1-2,4-5,8,11-13H2,(H,27,32)
InChIKeyJGPOZAYNLUGXCP-UHFFFAOYSA-N
XLogP4.78
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide (CID 171348388) is N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide is O=C(NCCn1cnc2cc(-c3noc(CCC4CCCC4)n3)ccc21)c1cccc(F)c1.
What is the InChIKey of N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide?
The InChIKey is JGPOZAYNLUGXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c26-20-7-3-6-19(14-20)25(32)27-12-13-31-16-28-21-15-18(9-10-22(21)31)24-29-23(33-30-24)11-8-17-4-1-2-5-17/h3,6-7,9-10,14-17H,1-2,4-5,8,11-13H2,(H,27,32).
What are the key properties of N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide?
N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide has a molecular weight of 447.51 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 171348388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).