2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione

C10H8N4O6S2 — CID 23326366

IUPAC2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione
SMILESCS(=O)(=O)c1nc2c([nH]1)C(=O)c1[nH]c(S(C)(=O)=O)nc1C2=O
InChIInChI=1S/C10H8N4O6S2/c1-21(17,18)9-11-3-4(12-9)8(16)6-5(7(3)15)13-10(14-6)22(2,19)20/h1-2H3,(H,11,12)(H,13,14)
InChIKeyAQXURWUWOMKABD-UHFFFAOYSA-N
MW344.33 g/mol
LogP-1.28
Rot. Bonds2

About 2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione

2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione (PubChem CID 23326366) has the molecular formula C10H8N4O6S2 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione.

Molecular Properties

Compound Name2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione
PubChem CID23326366
Molecular FormulaC10H8N4O6S2
Molecular Weight344.33 g/mol
Exact Mass343.99
IUPAC Name2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione
SMILESCS(=O)(=O)c1nc2c([nH]1)C(=O)c1[nH]c(S(C)(=O)=O)nc1C2=O
InChIInChI=1S/C10H8N4O6S2/c1-21(17,18)9-11-3-4(12-9)8(16)6-5(7(3)15)13-10(14-6)22(2,19)20/h1-2H3,(H,11,12)(H,13,14)
InChIKeyAQXURWUWOMKABD-UHFFFAOYSA-N
XLogP-1.28
TPSA159.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione 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

4,8-Dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-disulfonamide
CID 23326368
4,8-Dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide
CID 23326373

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione?
The IUPAC name of 2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione (CID 23326366) is 2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione.
What is the SMILES notation for 2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione?
The canonical SMILES for 2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione is CS(=O)(=O)c1nc2c([nH]1)C(=O)c1[nH]c(S(C)(=O)=O)nc1C2=O.
What is the InChIKey of 2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione?
The InChIKey is AQXURWUWOMKABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O6S2/c1-21(17,18)9-11-3-4(12-9)8(16)6-5(7(3)15)13-10(14-6)22(2,19)20/h1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione?
2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione has a molecular weight of 344.33 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(methylsulfonyl)-3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione is sourced from PubChem (CID 23326366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).