2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

C23H26N6O4 — CID 1205147

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OCC
InChIInChI=1S/C23H26N6O4/c1-3-31-18-10-9-15(13-19(18)32-4-2)11-12-25-20(30)14-29-17-8-6-5-7-16(17)26-23(29)21-22(24)28-33-27-21/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,24,28)(H,25,30)
InChIKeyOSHZGOWNZGALGJ-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.82
Rot. Bonds10

About 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide (PubChem CID 1205147) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
PubChem CID1205147
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OCC
InChIInChI=1S/C23H26N6O4/c1-3-31-18-10-9-15(13-19(18)32-4-2)11-12-25-20(30)14-29-17-8-6-5-7-16(17)26-23(29)21-22(24)28-33-27-21/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,24,28)(H,25,30)
InChIKeyOSHZGOWNZGALGJ-UHFFFAOYSA-N
XLogP2.82
TPSA130.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide (CID 1205147) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide is CCOc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OCC.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
The InChIKey is OSHZGOWNZGALGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-3-31-18-10-9-15(13-19(18)32-4-2)11-12-25-20(30)14-29-17-8-6-5-7-16(17)26-23(29)21-22(24)28-33-27-21/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,24,28)(H,25,30).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide has a molecular weight of 450.50 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 9 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-[2-(3,4-diethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 1205147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).