2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione

C19H11N3O3 — CID 682010

IUPAC2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H11N3O3/c23-17-12-5-1-3-10-4-2-6-13(16(10)12)18(24)22(17)11-7-8-14-15(9-11)21-19(25)20-14/h1-9H,(H2,20,21,25)
InChIKeyDALAXBUHHBEJIA-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.81
Rot. Bonds1

About 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione

2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 682010) has the molecular formula C19H11N3O3 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID682010
Molecular FormulaC19H11N3O3
Molecular Weight329.31 g/mol
Exact Mass329.08
IUPAC Name2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H11N3O3/c23-17-12-5-1-3-10-4-2-6-13(16(10)12)18(24)22(17)11-7-8-14-15(9-11)21-19(25)20-14/h1-9H,(H2,20,21,25)
InChIKeyDALAXBUHHBEJIA-UHFFFAOYSA-N
XLogP2.81
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione (CID 682010) is 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is DALAXBUHHBEJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O3/c23-17-12-5-1-3-10-4-2-6-13(16(10)12)18(24)22(17)11-7-8-14-15(9-11)21-19(25)20-14/h1-9H,(H2,20,21,25).
What are the key properties of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione?
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 329.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 682010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).