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

C28H37N13O5 — CID 159795425

About 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

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 (PubChem CID 159795425) has the molecular formula C28H37N13O5 and a molecular weight of 635.69 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159795425
• Molecular Formula: C28H37N13O5
• Molecular Weight: 635.69 g/mol
• Exact Mass: 635.30
• IUPAC Name: 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
• SMILES: C.C.NCCNC(=O)Cn1c(-c2nonc2N)nc2ccccc21.Nc1nonc1-c1nc2ccccc2n1CC(=O)NCCO
• InChI: InChI=1S/C13H15N7O2.C13H14N6O3.2CH4/c14-5-6-16-10(21)7-20-9-4-2-1-3-8(9)17-13(20)11-12(15)19-22-18-11;14-12-11(17-22-18-12)13-16-8-3-1-2-4-9(8)19(13)7-10(21)15-5-6-20;;/h1-4H,5-7,14H2,(H2,15,19)(H,16,21);1-4,20H,5-7H2,(H2,14,18)(H,15,21);2*1H4
• InChIKey: NJCJFWRTQSGHMG-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 269.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	635.69
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.C.NCCNC(=O)Cn1c(-c2nonc2N)nc2ccccc21.Nc1nonc1-c1nc2ccccc2n1CC(=O)NCCO.

What is the InChIKey of 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?

The InChIKey is NJCJFWRTQSGHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2.C13H14N6O3.2CH4/c14-5-6-16-10(21)7-20-9-4-2-1-3-8(9)17-13(20)11-12(15)19-22-18-11;14-12-11(17-22-18-12)13-16-8-3-1-2-4-9(8)19(13)7-10(21)15-5-6-20;;/h1-4H,5-7,14H2,(H2,15,19)(H,16,21);1-4,20H,5-7H2,(H2,14,18)(H,15,21);2*1H4.

What are the key properties of 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?

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 has a molecular weight of 635.69 g/mol, XLogP of 0.79, 10 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159795425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).