N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide

C21H24N4O2 — CID 29126924

IUPACN-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
SMILESCOc1ccc(CCN2CCn3c(nc4cc(NC(C)=O)ccc43)C2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(26)22-17-5-8-20-19(13-17)23-21-14-24(11-12-25(20)21)10-9-16-3-6-18(27-2)7-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
InChIKeyWXJHSNAUFKKOGB-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.06
Rot. Bonds5

About N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide

N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide (PubChem CID 29126924) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
PubChem CID29126924
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
SMILESCOc1ccc(CCN2CCn3c(nc4cc(NC(C)=O)ccc43)C2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(26)22-17-5-8-20-19(13-17)23-21-14-24(11-12-25(20)21)10-9-16-3-6-18(27-2)7-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
InChIKeyWXJHSNAUFKKOGB-UHFFFAOYSA-N
XLogP3.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methoxybenzamide
CID 2954264
N-(2-cyclopropyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide
CID 29112310
2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide
CID 50750469
N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide
CID 46269105
1-cyclohexyl-3-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea
CID 50750465
2-(4-methoxyphenoxy)-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)acetamide
CID 4889961
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)acetamide
CID 4889634
N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide
CID 50750458
N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide
CID 50750481
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 4888718
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
CID 46328909

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide (CID 29126924) is N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide is COc1ccc(CCN2CCn3c(nc4cc(NC(C)=O)ccc43)C2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide?
The InChIKey is WXJHSNAUFKKOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(26)22-17-5-8-20-19(13-17)23-21-14-24(11-12-25(20)21)10-9-16-3-6-18(27-2)7-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,26).
What are the key properties of N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide?
N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide is sourced from PubChem (CID 29126924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).