2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione

C10H6N2O3 — CID 54348365

IUPAC2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione
SMILESCc1nc2cc3c(cc2[nH]1)C(=O)OC3=O
InChIInChI=1S/C10H6N2O3/c1-4-11-7-2-5-6(3-8(7)12-4)10(14)15-9(5)13/h2-3H,1H3,(H,11,12)
InChIKeyUDXCWZGXVCGAIM-UHFFFAOYSA-N
MW202.17 g/mol
LogP1.18
Rot. Bonds

About 2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione

2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione (PubChem CID 54348365) has the molecular formula C10H6N2O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione.

Molecular Properties

Compound Name2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione
PubChem CID54348365
Molecular FormulaC10H6N2O3
Molecular Weight202.17 g/mol
Exact Mass202.04
IUPAC Name2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione
SMILESCc1nc2cc3c(cc2[nH]1)C(=O)OC3=O
InChIInChI=1S/C10H6N2O3/c1-4-11-7-2-5-6(3-8(7)12-4)10(14)15-9(5)13/h2-3H,1H3,(H,11,12)
InChIKeyUDXCWZGXVCGAIM-UHFFFAOYSA-N
XLogP1.18
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione?
The IUPAC name of 2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione (CID 54348365) is 2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione.
What is the SMILES notation for 2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione?
The canonical SMILES for 2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione is Cc1nc2cc3c(cc2[nH]1)C(=O)OC3=O.
What is the InChIKey of 2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione?
The InChIKey is UDXCWZGXVCGAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3/c1-4-11-7-2-5-6(3-8(7)12-4)10(14)15-9(5)13/h2-3H,1H3,(H,11,12).
What are the key properties of 2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione?
2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione has a molecular weight of 202.17 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione is sourced from PubChem (CID 54348365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).