1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C23H16Cl2N2O2 — CID 59026023

IUPAC1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(c1ccc(Cl)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl2N2O2/c24-17-9-5-15(6-10-17)21(28)26-13-14-27-22(29)19-3-1-2-4-20(19)23(26,27)16-7-11-18(25)12-8-16/h1-12H,13-14H2
InChIKeyUIXIYERWLICEGD-UHFFFAOYSA-N
MW423.30 g/mol
LogP4.81
Rot. Bonds2

About 1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59026023) has the molecular formula C23H16Cl2N2O2 and a molecular weight of 423.30 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59026023
Molecular FormulaC23H16Cl2N2O2
Molecular Weight423.30 g/mol
Exact Mass422.06
IUPAC Name1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(c1ccc(Cl)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl2N2O2/c24-17-9-5-15(6-10-17)21(28)26-13-14-27-22(29)19-3-1-2-4-20(19)23(26,27)16-7-11-18(25)12-8-16/h1-12H,13-14H2
InChIKeyUIXIYERWLICEGD-UHFFFAOYSA-N
XLogP4.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59026023) is 1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C(c1ccc(Cl)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is UIXIYERWLICEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O2/c24-17-9-5-15(6-10-17)21(28)26-13-14-27-22(29)19-3-1-2-4-20(19)23(26,27)16-7-11-18(25)12-8-16/h1-12H,13-14H2.
What are the key properties of 1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 423.30 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59026023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).