2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide

C28H28N4O2 — CID 92667104

IUPAC2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)C[C@H]2C(=O)N(Cc3ccccc3)[C@H](C)c3nc4ccccc4n32)cc1
InChIInChI=1S/C28H28N4O2/c1-19-12-14-21(15-13-19)17-29-26(33)16-25-28(34)31(18-22-8-4-3-5-9-22)20(2)27-30-23-10-6-7-11-24(23)32(25)27/h3-15,20,25H,16-18H2,1-2H3,(H,29,33)/t20-,25+/m1/s1
InChIKeyLUWJWIQHHCADDX-NLFFAJNJSA-N
MW452.56 g/mol
LogP4.70
Rot. Bonds6

About 2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 92667104) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID92667104
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)C[C@H]2C(=O)N(Cc3ccccc3)[C@H](C)c3nc4ccccc4n32)cc1
InChIInChI=1S/C28H28N4O2/c1-19-12-14-21(15-13-19)17-29-26(33)16-25-28(34)31(18-22-8-4-3-5-9-22)20(2)27-30-23-10-6-7-11-24(23)32(25)27/h3-15,20,25H,16-18H2,1-2H3,(H,29,33)/t20-,25+/m1/s1
InChIKeyLUWJWIQHHCADDX-NLFFAJNJSA-N
XLogP4.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide
CID 92695446
2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 92667085
2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-(4-methylphenyl)acetamide
CID 92667265
2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide
CID 92667109
2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 92667084
2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 92667236
2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-(3-ethylphenyl)acetamide
CID 92667261
2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 98218529
2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 31056559
N-benzyl-2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 25251832
N-benzyl-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135629261
N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43854164

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 92667104) is 2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)C[C@H]2C(=O)N(Cc3ccccc3)[C@H](C)c3nc4ccccc4n32)cc1.
What is the InChIKey of 2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is LUWJWIQHHCADDX-NLFFAJNJSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-19-12-14-21(15-13-19)17-29-26(33)16-25-28(34)31(18-22-8-4-3-5-9-22)20(2)27-30-23-10-6-7-11-24(23)32(25)27/h3-15,20,25H,16-18H2,1-2H3,(H,29,33)/t20-,25+/m1/s1.
What are the key properties of 2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 452.56 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 92667104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).