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'}

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

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Related Compounds

2-(4-aminosulfanylphenyl)benzo[de]isoquinoline-1,3-dione
CID 123241495
2-(3-deuteriocarbonylphenyl)benzo[de]isoquinoline-1,3-dione
CID 59970412
2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 102469897
2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione
CID 2876619
6,13-dinaphthalen-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 132869360
2-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzo[de]isoquinoline-1,3-dione
CID 4529084
6-bromo-2-[6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-9H-carbazol-3-yl]benzo[de]isoquinoline-1,3-dione;2-[6-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)-9H-carbazol-3-yl]-6-chlorobenzo[de]isoquinoline-1,3-dione;6-chloro-2-[6-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)-9H-carbazol-3-yl]benzo[de]isoquinoline-1,3-dione;bis(6-chloro-2-[6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-9H-carbazol-3-yl]benzo[de]isoquinoline-1,3-dione);2-[6-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)-9H-carbazol-3-yl]-6-methylbenzo[de]isoquinoline-1,3-dione
CID 158440822
ethane;2-[3-(hydroperoxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 91034571
2-[4-[6-[2-[6-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 72565697
3,6,8-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4(9),10,12,14,16(20),17-octaene-5,7-dione
CID 59366066
2-(4-octoxyphenyl)benzo[de]isoquinoline-1,3-dione
CID 4280854
2-(4-butoxyphenyl)benzo[de]isoquinoline-1,3-dione
CID 3613062

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).