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

C26H29N5O3 — CID 171353890

IUPACN-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCn2cnc3cc(-c4noc(CCC5CCCC5)n4)ccc32)c1
InChIInChI=1S/C26H29N5O3/c1-33-21-8-4-7-20(15-21)26(32)27-13-14-31-17-28-22-16-19(10-11-23(22)31)25-29-24(34-30-25)12-9-18-5-2-3-6-18/h4,7-8,10-11,15-18H,2-3,5-6,9,12-14H2,1H3,(H,27,32)
InChIKeyAYRIABQRHUPXHK-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.65
Rot. Bonds9

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

N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide (PubChem CID 171353890) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide
PubChem CID171353890
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCn2cnc3cc(-c4noc(CCC5CCCC5)n4)ccc32)c1
InChIInChI=1S/C26H29N5O3/c1-33-21-8-4-7-20(15-21)26(32)27-13-14-31-17-28-22-16-19(10-11-23(22)31)25-29-24(34-30-25)12-9-18-5-2-3-6-18/h4,7-8,10-11,15-18H,2-3,5-6,9,12-14H2,1H3,(H,27,32)
InChIKeyAYRIABQRHUPXHK-UHFFFAOYSA-N
XLogP4.65
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]benzamide
CID 175345603
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
3-methoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293645
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990772
N-cyclopentyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605832
N-cyclohexyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605831
N-[[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 22586361
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53172731
2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110324222
2-(4-chlorophenyl)-N-[[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 22586359
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

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-methoxybenzamide?
The IUPAC name of N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide (CID 171353890) is N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCn2cnc3cc(-c4noc(CCC5CCCC5)n4)ccc32)c1.
What is the InChIKey of N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide?
The InChIKey is AYRIABQRHUPXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-33-21-8-4-7-20(15-21)26(32)27-13-14-31-17-28-22-16-19(10-11-23(22)31)25-29-24(34-30-25)12-9-18-5-2-3-6-18/h4,7-8,10-11,15-18H,2-3,5-6,9,12-14H2,1H3,(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-methoxybenzamide?
N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-3-methoxybenzamide has a molecular weight of 459.55 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 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-methoxybenzamide is sourced from PubChem (CID 171353890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).