7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole

C13H9ClN4O2 — CID 23793455

IUPAC7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole
SMILESOn1c(-c2cccc(Cl)c2)nc2c1-c1nonc1CC2
InChIInChI=1S/C13H9ClN4O2/c14-8-3-1-2-7(6-8)13-15-10-5-4-9-11(17-20-16-9)12(10)18(13)19/h1-3,6,19H,4-5H2
InChIKeyBGDNYRNKWGXOGQ-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.59
Rot. Bonds1

About 7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole

7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole (PubChem CID 23793455) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole.

Molecular Properties

Compound Name7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole
PubChem CID23793455
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole
SMILESOn1c(-c2cccc(Cl)c2)nc2c1-c1nonc1CC2
InChIInChI=1S/C13H9ClN4O2/c14-8-3-1-2-7(6-8)13-15-10-5-4-9-11(17-20-16-9)12(10)18(13)19/h1-3,6,19H,4-5H2
InChIKeyBGDNYRNKWGXOGQ-UHFFFAOYSA-N
XLogP2.59
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole?
The IUPAC name of 7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole (CID 23793455) is 7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole.
What is the SMILES notation for 7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole?
The canonical SMILES for 7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole is On1c(-c2cccc(Cl)c2)nc2c1-c1nonc1CC2.
What is the InChIKey of 7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole?
The InChIKey is BGDNYRNKWGXOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c14-8-3-1-2-7(6-8)13-15-10-5-4-9-11(17-20-16-9)12(10)18(13)19/h1-3,6,19H,4-5H2.
What are the key properties of 7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole?
7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole has a molecular weight of 288.69 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-8-hydroxy-4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole is sourced from PubChem (CID 23793455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).