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

C30H32N4O3 — CID 92667109

IUPAC2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C)c3nc4ccccc4n32)cc1
InChIInChI=1S/C30H32N4O3/c1-3-37-24-15-13-22(14-16-24)17-18-31-28(35)19-27-30(36)33(20-23-9-5-4-6-10-23)21(2)29-32-25-11-7-8-12-26(25)34(27)29/h4-16,21,27H,3,17-20H2,1-2H3,(H,31,35)/t21-,27+/m0/s1
InChIKeyIBCQMMXDKCNKBF-KDYSTLNUSA-N
MW496.61 g/mol
LogP4.83
Rot. Bonds9

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

2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide (PubChem CID 92667109) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide
PubChem CID92667109
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C)c3nc4ccccc4n32)cc1
InChIInChI=1S/C30H32N4O3/c1-3-37-24-15-13-22(14-16-24)17-18-31-28(35)19-27-30(36)33(20-23-9-5-4-6-10-23)21(2)29-32-25-11-7-8-12-26(25)34(27)29/h4-16,21,27H,3,17-20H2,1-2H3,(H,31,35)/t21-,27+/m0/s1
InChIKeyIBCQMMXDKCNKBF-KDYSTLNUSA-N
XLogP4.83
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide
CID 92695446
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-[(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-[(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,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
2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
CID 124813935
N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43854164
2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
CID 43854329
N-(4-ethoxyphenyl)-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 17031709

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide?
The IUPAC name of 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) is 2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide is CCOc1ccc(CCNC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C)c3nc4ccccc4n32)cc1.
What is the InChIKey of 2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide?
The InChIKey is IBCQMMXDKCNKBF-KDYSTLNUSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-3-37-24-15-13-22(14-16-24)17-18-31-28(35)19-27-30(36)33(20-23-9-5-4-6-10-23)21(2)29-32-25-11-7-8-12-26(25)34(27)29/h4-16,21,27H,3,17-20H2,1-2H3,(H,31,35)/t21-,27+/m0/s1.
What are the key properties of 2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide?
2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide has a molecular weight of 496.61 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 92667109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).