N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide

C22H24N4O3 — CID 71842641

IUPACN-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)nc2n3CCN(C(C)C)C2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-4-29-17-8-6-16(7-9-17)23-21(27)15-5-10-19-18(13-15)24-20-22(28)25(14(2)3)11-12-26(19)20/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,27)
InChIKeyYUFPVZACSOATSH-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.55
Rot. Bonds5

About N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide

N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (PubChem CID 71842641) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
PubChem CID71842641
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)nc2n3CCN(C(C)C)C2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-4-29-17-8-6-16(7-9-17)23-21(27)15-5-10-19-18(13-15)24-20-22(28)25(14(2)3)11-12-26(19)20/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,27)
InChIKeyYUFPVZACSOATSH-UHFFFAOYSA-N
XLogP3.55
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
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N-(4-ethoxyphenyl)naphthalene-2-carboxamide
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N-(4-ethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059851
N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
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N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
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N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41465561
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2569760
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (CID 71842641) is N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(c2)nc2n3CCN(C(C)C)C2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is YUFPVZACSOATSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-29-17-8-6-16(7-9-17)23-21(27)15-5-10-19-18(13-15)24-20-22(28)25(14(2)3)11-12-26(19)20/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,27).
What are the key properties of N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 71842641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).