2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

C13H16N4O3 — CID 2968856

IUPAC2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESCOCCN1CCn2c(nc3cc([N+](=O)[O-])ccc32)C1
InChIInChI=1S/C13H16N4O3/c1-20-7-6-15-4-5-16-12-3-2-10(17(18)19)8-11(12)14-13(16)9-15/h2-3,8H,4-7,9H2,1H3
InChIKeyFVALSJMCEPPZGN-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.41
Rot. Bonds4

About 2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (PubChem CID 2968856) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
PubChem CID2968856
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESCOCCN1CCn2c(nc3cc([N+](=O)[O-])ccc32)C1
InChIInChI=1S/C13H16N4O3/c1-20-7-6-15-4-5-16-12-3-2-10(17(18)19)8-11(12)14-13(16)9-15/h2-3,8H,4-7,9H2,1H3
InChIKeyFVALSJMCEPPZGN-UHFFFAOYSA-N
XLogP1.41
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole 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-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
CID 29139236
3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
CID 3567443
2-ethyl-8-nitro-3,4-dihydro-[1,2,5]thiadiazino[5,6-a]benzimidazole
CID 56611343
ethyl 4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazine-1-carboxylate
CID 24761617
7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 102045736
2-(4-nitrophenoxy)-N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
CID 4897337
1-methyl-2-[4-(1-methyl-5-nitrobenzimidazol-2-yl)phenyl]-5-nitrobenzimidazole
CID 138618315
1-(2-methoxyethyl)-N-(4-nitrophenyl)pyrrolidin-3-amine
CID 118060499
1-[2-(2-methoxyethoxy)ethyl]-5-nitroindole
CID 116619105
1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline
CID 69040269
4-[2-(6-nitroindazol-2-yl)ethyl]morpholine
CID 66712456
3-(2-methoxyethyl)-6-nitro-2-propan-2-ylquinazolin-4-one
CID 162429417

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The IUPAC name of 2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (CID 2968856) is 2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is COCCN1CCn2c(nc3cc([N+](=O)[O-])ccc32)C1.
What is the InChIKey of 2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The InChIKey is FVALSJMCEPPZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-20-7-6-15-4-5-16-12-3-2-10(17(18)19)8-11(12)14-13(16)9-15/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole has a molecular weight of 276.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 2968856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).