7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione

C11H10N2O2 — CID 10219860

IUPAC7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione
SMILESCC1=CC(=O)c2nc3n(c2C1=O)CCC3
InChIInChI=1S/C11H10N2O2/c1-6-5-7(14)9-10(11(6)15)13-4-2-3-8(13)12-9/h5H,2-4H2,1H3
InChIKeyNTMDBNGFEQBNJD-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.15
Rot. Bonds

About 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione

7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione (PubChem CID 10219860) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione.

Molecular Properties

Compound Name7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione
PubChem CID10219860
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione
SMILESCC1=CC(=O)c2nc3n(c2C1=O)CCC3
InChIInChI=1S/C11H10N2O2/c1-6-5-7(14)9-10(11(6)15)13-4-2-3-8(13)12-9/h5H,2-4H2,1H3
InChIKeyNTMDBNGFEQBNJD-UHFFFAOYSA-N
XLogP1.15
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione?
The IUPAC name of 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione (CID 10219860) is 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione.
What is the SMILES notation for 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione?
The canonical SMILES for 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione is CC1=CC(=O)c2nc3n(c2C1=O)CCC3.
What is the InChIKey of 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione?
The InChIKey is NTMDBNGFEQBNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-6-5-7(14)9-10(11(6)15)13-4-2-3-8(13)12-9/h5H,2-4H2,1H3.
What are the key properties of 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione?
7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione has a molecular weight of 202.21 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione is sourced from PubChem (CID 10219860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).