4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide

C10H6N6O4 — CID 23326373

IUPAC4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide
SMILESNC(=O)c1nc2c([nH]1)C(=O)c1[nH]c(C(N)=O)nc1C2=O
InChIInChI=1S/C10H6N6O4/c11-7(19)9-13-1-2(14-9)6(18)4-3(5(1)17)15-10(16-4)8(12)20/h(H2,11,19)(H2,12,20)(H,13,14)(H,15,16)
InChIKeyQJYDTQBQEJZXRY-UHFFFAOYSA-N
MW274.20 g/mol
LogP-1.89
Rot. Bonds2

About 4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide

4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide (PubChem CID 23326373) has the molecular formula C10H6N6O4 and a molecular weight of 274.20 g/mol. Its IUPAC name is 4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide.

Molecular Properties

Compound Name4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide
PubChem CID23326373
Molecular FormulaC10H6N6O4
Molecular Weight274.20 g/mol
Exact Mass274.05
IUPAC Name4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide
SMILESNC(=O)c1nc2c([nH]1)C(=O)c1[nH]c(C(N)=O)nc1C2=O
InChIInChI=1S/C10H6N6O4/c11-7(19)9-13-1-2(14-9)6(18)4-3(5(1)17)15-10(16-4)8(12)20/h(H2,11,19)(H2,12,20)(H,13,14)(H,15,16)
InChIKeyQJYDTQBQEJZXRY-UHFFFAOYSA-N
XLogP-1.89
TPSA177.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide?
The IUPAC name of 4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide (CID 23326373) is 4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide.
What is the SMILES notation for 4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide?
The canonical SMILES for 4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide is NC(=O)c1nc2c([nH]1)C(=O)c1[nH]c(C(N)=O)nc1C2=O.
What is the InChIKey of 4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide?
The InChIKey is QJYDTQBQEJZXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O4/c11-7(19)9-13-1-2(14-9)6(18)4-3(5(1)17)15-10(16-4)8(12)20/h(H2,11,19)(H2,12,20)(H,13,14)(H,15,16).
What are the key properties of 4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide?
4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide has a molecular weight of 274.20 g/mol, XLogP of -1.89, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dioxo-3,5-dihydroimidazo[4,5-f]benzimidazole-2,6-dicarboxamide is sourced from PubChem (CID 23326373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).