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

C27H26N4O2 — CID 92695446

IUPACN-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide
SMILESC[C@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C27H26N4O2/c1-19-26-29-22-14-8-9-15-23(22)31(26)24(16-25(32)28-17-20-10-4-2-5-11-20)27(33)30(19)18-21-12-6-3-7-13-21/h2-15,19,24H,16-18H2,1H3,(H,28,32)/t19-,24-/m0/s1
InChIKeyLPMVXGPQLXJEIA-CYFREDJKSA-N
MW438.53 g/mol
LogP4.39
Rot. Bonds6

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

N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide (PubChem CID 92695446) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide
PubChem CID92695446
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide
SMILESC[C@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C27H26N4O2/c1-19-26-29-22-14-8-9-15-23(22)31(26)24(16-25(32)28-17-20-10-4-2-5-11-20)27(33)30(19)18-21-12-6-3-7-13-21/h2-15,19,24H,16-18H2,1H3,(H,28,32)/t19-,24-/m0/s1
InChIKeyLPMVXGPQLXJEIA-CYFREDJKSA-N
XLogP4.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-(3-ethylphenyl)acetamide
CID 92667261
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-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 98218529
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
2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 31056559

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide?
The IUPAC name of N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide (CID 92695446) is N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide is C[C@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide?
The InChIKey is LPMVXGPQLXJEIA-CYFREDJKSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-19-26-29-22-14-8-9-15-23(22)31(26)24(16-25(32)28-17-20-10-4-2-5-11-20)27(33)30(19)18-21-12-6-3-7-13-21/h2-15,19,24H,16-18H2,1H3,(H,28,32)/t19-,24-/m0/s1.
What are the key properties of N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide?
N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide has a molecular weight of 438.53 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide is sourced from PubChem (CID 92695446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).