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

C22H26N4O3 — CID 50750469

IUPAC2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCN(C(C)C)C2)cc1
InChIInChI=1S/C22H26N4O3/c1-15(2)25-10-11-26-20-9-4-16(12-19(20)24-21(26)13-25)23-22(27)14-29-18-7-5-17(28-3)6-8-18/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,23,27)
InChIKeyXRPOQPBVILTIHR-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.29
Rot. Bonds6

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

2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide (PubChem CID 50750469) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide
PubChem CID50750469
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCN(C(C)C)C2)cc1
InChIInChI=1S/C22H26N4O3/c1-15(2)25-10-11-26-20-9-4-16(12-19(20)24-21(26)13-25)23-22(27)14-29-18-7-5-17(28-3)6-8-18/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,23,27)
InChIKeyXRPOQPBVILTIHR-UHFFFAOYSA-N
XLogP3.29
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-nitrophenoxy)-N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
CID 4897337
2-(4-methoxyphenoxy)-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)acetamide
CID 4889961
N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide
CID 50750495
N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
CID 29126924
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide
CID 666223
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
CID 50750414
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
CID 46268794
N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methoxybenzamide
CID 2954264
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenoxy)acetamide;hydrochloride
CID 16682075
2-(4-methoxyphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 4940606
N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide
CID 46269105
2-(4-methoxyphenoxy)-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]acetamide
CID 17236113

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide (CID 50750469) is 2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide is COc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCN(C(C)C)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide?
The InChIKey is XRPOQPBVILTIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15(2)25-10-11-26-20-9-4-16(12-19(20)24-21(26)13-25)23-22(27)14-29-18-7-5-17(28-3)6-8-18/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,23,27).
What are the key properties of 2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide?
2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide is sourced from PubChem (CID 50750469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).