2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline

C15H9N5O2 — CID 11565524

IUPAC2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline
SMILESO=[N+]([O-])c1cccc2[nH]c(-c3cnc4ccccc4n3)nc12
InChIInChI=1S/C15H9N5O2/c21-20(22)13-7-3-6-11-14(13)19-15(18-11)12-8-16-9-4-1-2-5-10(9)17-12/h1-8H,(H,18,19)
InChIKeyRDSFCGCNTCJZOD-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.08
Rot. Bonds2

About 2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline

2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline (PubChem CID 11565524) has the molecular formula C15H9N5O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline
PubChem CID11565524
Molecular FormulaC15H9N5O2
Molecular Weight291.27 g/mol
Exact Mass291.08
IUPAC Name2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline
SMILESO=[N+]([O-])c1cccc2[nH]c(-c3cnc4ccccc4n3)nc12
InChIInChI=1S/C15H9N5O2/c21-20(22)13-7-3-6-11-14(13)19-15(18-11)12-8-16-9-4-1-2-5-10(9)17-12/h1-8H,(H,18,19)
InChIKeyRDSFCGCNTCJZOD-UHFFFAOYSA-N
XLogP3.08
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline?
The IUPAC name of 2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline (CID 11565524) is 2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline.
What is the SMILES notation for 2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline?
The canonical SMILES for 2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline is O=[N+]([O-])c1cccc2[nH]c(-c3cnc4ccccc4n3)nc12.
What is the InChIKey of 2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline?
The InChIKey is RDSFCGCNTCJZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O2/c21-20(22)13-7-3-6-11-14(13)19-15(18-11)12-8-16-9-4-1-2-5-10(9)17-12/h1-8H,(H,18,19).
What are the key properties of 2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline?
2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline has a molecular weight of 291.27 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitro-1H-benzimidazol-2-yl)quinoxaline is sourced from PubChem (CID 11565524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).