2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one

C22H12Cl2N2O — CID 102591136

IUPAC2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)n21
InChIInChI=1S/C22H12Cl2N2O/c23-17-11-5-3-9-15(17)19-20(16-10-4-6-12-18(16)24)26-21(25-19)13-7-1-2-8-14(13)22(26)27/h1-12H
InChIKeyXLEPVGOTKMBFCH-UHFFFAOYSA-N
MW391.26 g/mol
LogP6.19
Rot. Bonds2

About 2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one

2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one (PubChem CID 102591136) has the molecular formula C22H12Cl2N2O and a molecular weight of 391.26 g/mol. Its IUPAC name is 2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one.

Molecular Properties

Compound Name2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one
PubChem CID102591136
Molecular FormulaC22H12Cl2N2O
Molecular Weight391.26 g/mol
Exact Mass390.03
IUPAC Name2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)n21
InChIInChI=1S/C22H12Cl2N2O/c23-17-11-5-3-9-15(17)19-20(16-10-4-6-12-18(16)24)26-21(25-19)13-7-1-2-8-14(13)22(26)27/h1-12H
InChIKeyXLEPVGOTKMBFCH-UHFFFAOYSA-N
XLogP6.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.26
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloroisoindolo[2,3-a]quinazoline-5,11-dione
CID 124927728
1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole
CID 14618329
2-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]isoindole-1,3-dione;ethane
CID 145483294
2-(2-chlorophenyl)-3-(2-hydroxyphenyl)quinazolin-4-one
CID 716325
3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106515481
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one
CID 11453059
2-(2-chlorophenyl)-5-fluoro-3-phenylquinazolin-4-one
CID 155671982
2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol
CID 136609130
2-(2-chlorophenyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117133103
7-phenylisoindolo[2,3-a]benzimidazol-11-one
CID 23881857
2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol
CID 136716731
2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 11453058

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one?
The IUPAC name of 2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one (CID 102591136) is 2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one.
What is the SMILES notation for 2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one?
The canonical SMILES for 2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one is O=C1c2ccccc2-c2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)n21.
What is the InChIKey of 2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one?
The InChIKey is XLEPVGOTKMBFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl2N2O/c23-17-11-5-3-9-15(17)19-20(16-10-4-6-12-18(16)24)26-21(25-19)13-7-1-2-8-14(13)22(26)27/h1-12H.
What are the key properties of 2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one?
2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one has a molecular weight of 391.26 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one is sourced from PubChem (CID 102591136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).