1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione

C17H11ClN2O3 — CID 101412583

IUPAC1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione
SMILESCc1cc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)cc1Cl
InChIInChI=1S/C17H11ClN2O3/c1-8-6-13(21)11(7-12(8)18)14-15-9-4-2-3-5-10(9)16(22)20(15)17(23)19-14/h2-7,21H,1H3,(H,19,23)
InChIKeySKSONBCZLYUVOR-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.18
Rot. Bonds1

About 1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione

1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione (PubChem CID 101412583) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione
PubChem CID101412583
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione
SMILESCc1cc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)cc1Cl
InChIInChI=1S/C17H11ClN2O3/c1-8-6-13(21)11(7-12(8)18)14-15-9-4-2-3-5-10(9)16(22)20(15)17(23)19-14/h2-7,21H,1H3,(H,19,23)
InChIKeySKSONBCZLYUVOR-UHFFFAOYSA-N
XLogP3.18
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione?
The IUPAC name of 1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione (CID 101412583) is 1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione.
What is the SMILES notation for 1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione?
The canonical SMILES for 1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione is Cc1cc(O)c(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)cc1Cl.
What is the InChIKey of 1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione?
The InChIKey is SKSONBCZLYUVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c1-8-6-13(21)11(7-12(8)18)14-15-9-4-2-3-5-10(9)16(22)20(15)17(23)19-14/h2-7,21H,1H3,(H,19,23).
What are the key properties of 1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione?
1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione has a molecular weight of 326.74 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxy-4-methylphenyl)-2H-imidazo[1,5-b]isoindole-3,5-dione is sourced from PubChem (CID 101412583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).