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

C25H28N12O5 — CID 159638026

About 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

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 (PubChem CID 159638026) has the molecular formula C25H28N12O5 and a molecular weight of 576.58 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159638026
• Molecular Formula: C25H28N12O5
• Molecular Weight: 576.58 g/mol
• Exact Mass: 576.23
• IUPAC Name: 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
• SMILES: CN.CNC(=O)Cn1c(-c2nonc2N)nc2ccccc21.COC(=O)Cn1c(-c2nonc2N)nc2ccccc21
• InChI: InChI=1S/C12H12N6O2.C12H11N5O3.CH5N/c1-14-9(19)6-18-8-5-3-2-4-7(8)15-12(18)10-11(13)17-20-16-10;1-19-9(18)6-17-8-5-3-2-4-7(8)14-12(17)10-11(13)16-20-15-10;1-2/h2-5H,6H2,1H3,(H2,13,17)(H,14,19);2-5H,6H2,1H3,(H2,13,16);2H2,1H3
• InChIKey: MPZIMAFZNUVYJJ-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 246.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.58
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN.CNC(=O)Cn1c(-c2nonc2N)nc2ccccc21.COC(=O)Cn1c(-c2nonc2N)nc2ccccc21.

What is the InChIKey of 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?

The InChIKey is MPZIMAFZNUVYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2.C12H11N5O3.CH5N/c1-14-9(19)6-18-8-5-3-2-4-7(8)15-12(18)10-11(13)17-20-16-10;1-19-9(18)6-17-8-5-3-2-4-7(8)14-12(17)10-11(13)16-20-15-10;1-2/h2-5H,6H2,1H3,(H2,13,17)(H,14,19);2-5H,6H2,1H3,(H2,13,16);2H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 576.58 g/mol, XLogP of 0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 16 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-methylacetamide;methanamine;methyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 159638026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).