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

C26H20N8O4 — CID 178070889

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCOc1ccc(-c2nc(-c3cccc(NC(=O)Cn4c(-c5nonc5N)nc5ccccc54)c3)no2)cc1
InChIInChI=1S/C26H20N8O4/c1-36-18-11-9-15(10-12-18)26-30-24(33-37-26)16-5-4-6-17(13-16)28-21(35)14-34-20-8-3-2-7-19(20)29-25(34)22-23(27)32-38-31-22/h2-13H,14H2,1H3,(H2,27,32)(H,28,35)
InChIKeySWASGFDUZXZVPZ-UHFFFAOYSA-N
MW508.50 g/mol
LogP4.03
Rot. Bonds7

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

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 178070889) has the molecular formula C26H20N8O4 and a molecular weight of 508.50 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID178070889
Molecular FormulaC26H20N8O4
Molecular Weight508.50 g/mol
Exact Mass508.16
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCOc1ccc(-c2nc(-c3cccc(NC(=O)Cn4c(-c5nonc5N)nc5ccccc54)c3)no2)cc1
InChIInChI=1S/C26H20N8O4/c1-36-18-11-9-15(10-12-18)26-30-24(33-37-26)16-5-4-6-17(13-16)28-21(35)14-34-20-8-3-2-7-19(20)29-25(34)22-23(27)32-38-31-22/h2-13H,14H2,1H3,(H2,27,32)(H,28,35)
InChIKeySWASGFDUZXZVPZ-UHFFFAOYSA-N
XLogP4.03
TPSA160.01 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide with MolForge

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Related Compounds

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
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-methylacetamide;methanamine;methyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate
CID 159638026
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-(4-ethylphenyl)acetamide
CID 1096323
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17033082
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 156768738
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-bromo-4-nitrophenyl)acetamide
CID 156768743
N-(4-methoxyphenyl)-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032844
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
CID 2947726
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 178070889) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is COc1ccc(-c2nc(-c3cccc(NC(=O)Cn4c(-c5nonc5N)nc5ccccc54)c3)no2)cc1.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is SWASGFDUZXZVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O4/c1-36-18-11-9-15(10-12-18)26-30-24(33-37-26)16-5-4-6-17(13-16)28-21(35)14-34-20-8-3-2-7-19(20)29-25(34)22-23(27)32-38-31-22/h2-13H,14H2,1H3,(H2,27,32)(H,28,35).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 508.50 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 11 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-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 178070889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).