N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

C25H24N4O2S — CID 46274174

About N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 46274174) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
• PubChem CID: 46274174
• Molecular Formula: C25H24N4O2S
• Molecular Weight: 444.56 g/mol
• Exact Mass: 444.16
• IUPAC Name: N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
• SMILES: CC1(C(=O)NCc2ccccc2)Cn2c(nc3ccccc32)C(=O)N1CCc1cccs1
• InChI: InChI=1S/C25H24N4O2S/c1-25(24(31)26-16-18-8-3-2-4-9-18)17-28-21-12-6-5-11-20(21)27-22(28)23(30)29(25)14-13-19-10-7-15-32-19/h2-12,15H,13-14,16-17H2,1H3,(H,26,31)
• InChIKey: QYPIXRDSQNYBJC-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.56
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?

The IUPAC name of N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (CID 46274174) is N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

What is the SMILES notation for N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?

The canonical SMILES for N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is CC1(C(=O)NCc2ccccc2)Cn2c(nc3ccccc32)C(=O)N1CCc1cccs1.

What is the InChIKey of N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?

The InChIKey is QYPIXRDSQNYBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-25(24(31)26-16-18-8-3-2-4-9-18)17-28-21-12-6-5-11-20(21)27-22(28)23(30)29(25)14-13-19-10-7-15-32-19/h2-12,15H,13-14,16-17H2,1H3,(H,26,31).

What are the key properties of N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide?

N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 46274174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).