1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione

C11H6N2O3 — CID 916230

IUPAC1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione
SMILESO=C1c2ccccc2C(=O)c2[nH]c(=O)[nH]c21
InChIInChI=1S/C11H6N2O3/c14-9-5-3-1-2-4-6(5)10(15)8-7(9)12-11(16)13-8/h1-4H,(H2,12,13,16)
InChIKeyNVAHNAFJSDAVNN-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.48
Rot. Bonds

About 1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione

1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione (PubChem CID 916230) has the molecular formula C11H6N2O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione.

Molecular Properties

Compound Name1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione
PubChem CID916230
Molecular FormulaC11H6N2O3
Molecular Weight214.18 g/mol
Exact Mass214.04
IUPAC Name1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione
SMILESO=C1c2ccccc2C(=O)c2[nH]c(=O)[nH]c21
InChIInChI=1S/C11H6N2O3/c14-9-5-3-1-2-4-6(5)10(15)8-7(9)12-11(16)13-8/h1-4H,(H2,12,13,16)
InChIKeyNVAHNAFJSDAVNN-UHFFFAOYSA-N
XLogP0.48
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione?
The IUPAC name of 1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione (CID 916230) is 1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione.
What is the SMILES notation for 1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione?
The canonical SMILES for 1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione is O=C1c2ccccc2C(=O)c2[nH]c(=O)[nH]c21.
What is the InChIKey of 1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione?
The InChIKey is NVAHNAFJSDAVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3/c14-9-5-3-1-2-4-6(5)10(15)8-7(9)12-11(16)13-8/h1-4H,(H2,12,13,16).
What are the key properties of 1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione?
1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione has a molecular weight of 214.18 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione is sourced from PubChem (CID 916230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).