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

C25H24N4O2S — CID 46274174

IUPACN-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)Cn2c(nc3ccccc32)C(=O)N1CCc1cccs1
InChIInChI=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)
InChIKeyQYPIXRDSQNYBJC-UHFFFAOYSA-N
MW444.56 g/mol
LogP3.87
Rot. Bonds6

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 NameN-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
PubChem CID46274174
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-benzyl-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)Cn2c(nc3ccccc32)C(=O)N1CCc1cccs1
InChIInChI=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)
InChIKeyQYPIXRDSQNYBJC-UHFFFAOYSA-N
XLogP3.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).