2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

C23H23N7O3 — CID 5298813

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H23N7O3/c24-21-20(27-33-28-21)22-26-17-6-2-3-7-18(17)30(22)14-19(31)25-16-10-8-15(9-11-16)23(32)29-12-4-1-5-13-29/h2-3,6-11H,1,4-5,12-14H2,(H2,24,28)(H,25,31)
InChIKeyVTBJNHLEJATXEZ-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.93
Rot. Bonds5

About 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 5298813) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID5298813
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H23N7O3/c24-21-20(27-33-28-21)22-26-17-6-2-3-7-18(17)30(22)14-19(31)25-16-10-8-15(9-11-16)23(32)29-12-4-1-5-13-29/h2-3,6-11H,1,4-5,12-14H2,(H2,24,28)(H,25,31)
InChIKeyVTBJNHLEJATXEZ-UHFFFAOYSA-N
XLogP2.93
TPSA132.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]benzoate
CID 1017543
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 1096323
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-methylquinolin-6-yl)acetamide
CID 1259483
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
CID 2947726
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 156768738
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55532655
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-bromo-4-nitrophenyl)acetamide
CID 156768743
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 1130343
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-methylacetamide;methanamine;methyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate
CID 159638026
N-(2-aminoethyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide;2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-hydroxyethyl)acetamide;methane
CID 159795425
2-(2-acetylbenzimidazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 38112336
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 178070859

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide (CID 5298813) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide is Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is VTBJNHLEJATXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c24-21-20(27-33-28-21)22-26-17-6-2-3-7-18(17)30(22)14-19(31)25-16-10-8-15(9-11-16)23(32)29-12-4-1-5-13-29/h2-3,6-11H,1,4-5,12-14H2,(H2,24,28)(H,25,31).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 445.48 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 5298813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).