1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid

C19H19N3O8 — CID 2965855

IUPAC1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid
SMILESO=C(O)C(=O)O.O=[N+]([O-])c1ccccc1OCCOCCn1cnc2ccccc21
InChIInChI=1S/C17H17N3O4.C2H2O4/c21-20(22)16-7-3-4-8-17(16)24-12-11-23-10-9-19-13-18-14-5-1-2-6-15(14)19;3-1(4)2(5)6/h1-8,13H,9-12H2;(H,3,4)(H,5,6)
InChIKeyVFXGSELCTYMOQG-UHFFFAOYSA-N
MW417.37 g/mol
LogP2.20
Rot. Bonds8

About 1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid

1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid (PubChem CID 2965855) has the molecular formula C19H19N3O8 and a molecular weight of 417.37 g/mol. Its IUPAC name is 1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid.

Molecular Properties

Compound Name1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid
PubChem CID2965855
Molecular FormulaC19H19N3O8
Molecular Weight417.37 g/mol
Exact Mass417.12
IUPAC Name1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid
SMILESO=C(O)C(=O)O.O=[N+]([O-])c1ccccc1OCCOCCn1cnc2ccccc21
InChIInChI=1S/C17H17N3O4.C2H2O4/c21-20(22)16-7-3-4-8-17(16)24-12-11-23-10-9-19-13-18-14-5-1-2-6-15(14)19;3-1(4)2(5)6/h1-8,13H,9-12H2;(H,3,4)(H,5,6)
InChIKeyVFXGSELCTYMOQG-UHFFFAOYSA-N
XLogP2.20
TPSA154.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid 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

1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate
CID 58743695
2-(benzimidazol-1-yl)ethyl (4-nitrophenyl) carbonate
CID 143009137
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
CID 21205906
2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite
CID 163874008
1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 2283926
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole;oxalic acid
CID 2949443
1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole
CID 140992644

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid?
The IUPAC name of 1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid (CID 2965855) is 1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid.
What is the SMILES notation for 1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid?
The canonical SMILES for 1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid is O=C(O)C(=O)O.O=[N+]([O-])c1ccccc1OCCOCCn1cnc2ccccc21.
What is the InChIKey of 1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid?
The InChIKey is VFXGSELCTYMOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4.C2H2O4/c21-20(22)16-7-3-4-8-17(16)24-12-11-23-10-9-19-13-18-14-5-1-2-6-15(14)19;3-1(4)2(5)6/h1-8,13H,9-12H2;(H,3,4)(H,5,6).
What are the key properties of 1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid?
1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid has a molecular weight of 417.37 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid is sourced from PubChem (CID 2965855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).