9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C110H79Cl6N11O12S4 — CID 159704098

IUPAC9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCc1cc(C(=O)N2CCN3C(=O)c4ccccc4C32c2ccc(Cl)cc2)c(C)o1.O=C(c1ccoc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(c1ccsc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(c1csc(-c2cccs2)n1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C1c2ccccc2C2(c3ccc(Cl)cc3)N1CCN2C(=O)c1sccc1Cl
InChIInChI=1S/C24H16ClN3O2S2.C23H19ClN2O3.C21H14Cl2N2O2S.C21H15ClN2O3.C21H15ClN2O2S/c25-16-9-7-15(8-10-16)24-18-5-2-1-4-17(18)22(29)27(24)11-12-28(24)23(30)19-14-32-21(26-19)20-6-3-13-31-20;1-14-13-19(15(2)29-14)22(28)26-12-11-25-21(27)18-5-3-4-6-20(18)23(25,26)16-7-9-17(24)10-8-16;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)19(26)24(21)10-11-25(21)20(27)18-17(23)9-12-28-18;2*22-16-7-5-15(6-8-16)21-18-4-2-1-3-17(18)20(26)24(21)11-10-23(21)19(25)14-9-12-27-13-14/h1-10,13-14H,11-12H2;3-10,13H,11-12H2,1-2H3;1-9,12H,10-11H2;2*1-9,12-13H,10-11H2
InChIKeyMXZKAGALEXTKKW-UHFFFAOYSA-N
MW2087.89 g/mol
LogP22.53
Rot. Bonds11

About 9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 159704098) has the molecular formula C110H79Cl6N11O12S4 and a molecular weight of 2087.89 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID159704098
Molecular FormulaC110H79Cl6N11O12S4
Molecular Weight2087.89 g/mol
Exact Mass2083.29
IUPAC Name9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCc1cc(C(=O)N2CCN3C(=O)c4ccccc4C32c2ccc(Cl)cc2)c(C)o1.O=C(c1ccoc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(c1ccsc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(c1csc(-c2cccs2)n1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C1c2ccccc2C2(c3ccc(Cl)cc3)N1CCN2C(=O)c1sccc1Cl
InChIInChI=1S/C24H16ClN3O2S2.C23H19ClN2O3.C21H14Cl2N2O2S.C21H15ClN2O3.C21H15ClN2O2S/c25-16-9-7-15(8-10-16)24-18-5-2-1-4-17(18)22(29)27(24)11-12-28(24)23(30)19-14-32-21(26-19)20-6-3-13-31-20;1-14-13-19(15(2)29-14)22(28)26-12-11-25-21(27)18-5-3-4-6-20(18)23(25,26)16-7-9-17(24)10-8-16;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)19(26)24(21)10-11-25(21)20(27)18-17(23)9-12-28-18;2*22-16-7-5-15(6-8-16)21-18-4-2-1-3-17(18)20(26)24(21)11-10-23(21)19(25)14-9-12-27-13-14/h1-10,13-14H,11-12H2;3-10,13H,11-12H2,1-2H3;1-9,12H,10-11H2;2*1-9,12-13H,10-11H2
InChIKeyMXZKAGALEXTKKW-UHFFFAOYSA-N
XLogP22.53
TPSA242.27 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002087.89
LogP ≤ 522.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 159704098) is 9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is Cc1cc(C(=O)N2CCN3C(=O)c4ccccc4C32c2ccc(Cl)cc2)c(C)o1.O=C(c1ccoc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(c1ccsc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(c1csc(-c2cccs2)n1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C1c2ccccc2C2(c3ccc(Cl)cc3)N1CCN2C(=O)c1sccc1Cl.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is MXZKAGALEXTKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O2S2.C23H19ClN2O3.C21H14Cl2N2O2S.C21H15ClN2O3.C21H15ClN2O2S/c25-16-9-7-15(8-10-16)24-18-5-2-1-4-17(18)22(29)27(24)11-12-28(24)23(30)19-14-32-21(26-19)20-6-3-13-31-20;1-14-13-19(15(2)29-14)22(28)26-12-11-25-21(27)18-5-3-4-6-20(18)23(25,26)16-7-9-17(24)10-8-16;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)19(26)24(21)10-11-25(21)20(27)18-17(23)9-12-28-18;2*22-16-7-5-15(6-8-16)21-18-4-2-1-3-17(18)20(26)24(21)11-10-23(21)19(25)14-9-12-27-13-14/h1-10,13-14H,11-12H2;3-10,13H,11-12H2,1-2H3;1-9,12H,10-11H2;2*1-9,12-13H,10-11H2.
What are the key properties of 9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 2087.89 g/mol, XLogP of 22.53, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(furan-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(thiophene-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 159704098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).