2-[2-(dimethylamino)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

C23H33N5O2 — CID 53298933

About 2-[2-(dimethylamino)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

2-[2-(dimethylamino)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 53298933) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(dimethylamino)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
• PubChem CID: 53298933
• Molecular Formula: C23H33N5O2
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.26
• IUPAC Name: 2-[2-(dimethylamino)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
• SMILES: CC1CCC(NC(=O)C2(C)Cn3c(nc4ccccc43)C(=O)N2CCN(C)C)CC1
• InChI: InChI=1S/C23H33N5O2/c1-16-9-11-17(12-10-16)24-22(30)23(2)15-27-19-8-6-5-7-18(19)25-20(27)21(29)28(23)14-13-26(3)4/h5-8,16-17H,9-15H2,1-4H3,(H,24,30)
• InChIKey: VQZVMSDOZZFPKZ-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-(dimethylamino)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide (CID 53298933) is 2-[2-(dimethylamino)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide.

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

The canonical SMILES for 2-[2-(dimethylamino)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is CC1CCC(NC(=O)C2(C)Cn3c(nc4ccccc43)C(=O)N2CCN(C)C)CC1.

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

The InChIKey is VQZVMSDOZZFPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-16-9-11-17(12-10-16)24-22(30)23(2)15-27-19-8-6-5-7-18(19)25-20(27)21(29)28(23)14-13-26(3)4/h5-8,16-17H,9-15H2,1-4H3,(H,24,30).

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

2-[2-(dimethylamino)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(dimethylamino)ethyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 53298933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).