9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C87H62Cl4F3N15O10S2 — CID 160532189

IUPAC9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCc1nonc1C(=O)N1CCN2C(=O)c3ccccc3C21c1ccc(Cl)cc1.Cn1cc(C(=O)N2CCN3C(=O)c4ccccc4C32c2ccc(Cl)cc2)c(C(F)(F)F)n1.O=C(c1csc(-c2ccc[n+]([O-])c2)n1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(c1cscn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C25H17ClN4O3S.C22H16ClF3N4O2.C20H15ClN4O3.C20H14ClN3O2S/c26-18-9-7-17(8-10-18)25-20-6-2-1-5-19(20)23(31)29(25)12-13-30(25)24(32)21-15-34-22(27-21)16-4-3-11-28(33)14-16;1-28-12-16(18(27-28)22(24,25)26)20(32)30-11-10-29-19(31)15-4-2-3-5-17(15)21(29,30)13-6-8-14(23)9-7-13;1-12-17(23-28-22-12)19(27)25-11-10-24-18(26)15-4-2-3-5-16(15)20(24,25)13-6-8-14(21)9-7-13;21-14-7-5-13(6-8-14)20-16-4-2-1-3-15(16)18(25)23(20)9-10-24(20)19(26)17-11-27-12-22-17/h1-11,14-15H,12-13H2;2-9,12H,10-11H2,1H3;2-9H,10-11H2,1H3;1-8,11-12H,9-10H2
InChIKeyQVRPPTYLARBMGX-UHFFFAOYSA-N
MW1740.49 g/mol
LogP14.27
Rot. Bonds9

About 9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 160532189) has the molecular formula C87H62Cl4F3N15O10S2 and a molecular weight of 1740.49 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID160532189
Molecular FormulaC87H62Cl4F3N15O10S2
Molecular Weight1740.49 g/mol
Exact Mass1737.30
IUPAC Name9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCc1nonc1C(=O)N1CCN2C(=O)c3ccccc3C21c1ccc(Cl)cc1.Cn1cc(C(=O)N2CCN3C(=O)c4ccccc4C32c2ccc(Cl)cc2)c(C(F)(F)F)n1.O=C(c1csc(-c2ccc[n+]([O-])c2)n1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(c1cscn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C25H17ClN4O3S.C22H16ClF3N4O2.C20H15ClN4O3.C20H14ClN3O2S/c26-18-9-7-17(8-10-18)25-20-6-2-1-5-19(20)23(31)29(25)12-13-30(25)24(32)21-15-34-22(27-21)16-4-3-11-28(33)14-16;1-28-12-16(18(27-28)22(24,25)26)20(32)30-11-10-29-19(31)15-4-2-3-5-17(15)21(29,30)13-6-8-14(23)9-7-13;1-12-17(23-28-22-12)19(27)25-11-10-24-18(26)15-4-2-3-5-16(15)20(24,25)13-6-8-14(21)9-7-13;21-14-7-5-13(6-8-14)20-16-4-2-1-3-15(16)18(25)23(20)9-10-24(20)19(26)17-11-27-12-22-17/h1-11,14-15H,12-13H2;2-9,12H,10-11H2,1H3;2-9H,10-11H2,1H3;1-8,11-12H,9-10H2
InChIKeyQVRPPTYLARBMGX-UHFFFAOYSA-N
XLogP14.27
TPSA271.94 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001740.49
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one with MolForge

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Related Compounds

10a-(4-chlorophenyl)-1-(6-methylpyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(6-methylpyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[2,1-g][1,7]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;1-(4-chloro-5-methyl-1,2-thiazole-3-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
CID 158097562
2-(4-Chlorophenyl)-3-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
CID 160962399

Frequently Asked Questions

What is the IUPAC name of 9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 160532189) is 9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is Cc1nonc1C(=O)N1CCN2C(=O)c3ccccc3C21c1ccc(Cl)cc1.Cn1cc(C(=O)N2CCN3C(=O)c4ccccc4C32c2ccc(Cl)cc2)c(C(F)(F)F)n1.O=C(c1csc(-c2ccc[n+]([O-])c2)n1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(c1cscn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is QVRPPTYLARBMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O3S.C22H16ClF3N4O2.C20H15ClN4O3.C20H14ClN3O2S/c26-18-9-7-17(8-10-18)25-20-6-2-1-5-19(20)23(31)29(25)12-13-30(25)24(32)21-15-34-22(27-21)16-4-3-11-28(33)14-16;1-28-12-16(18(27-28)22(24,25)26)20(32)30-11-10-29-19(31)15-4-2-3-5-17(15)21(29,30)13-6-8-14(23)9-7-13;1-12-17(23-28-22-12)19(27)25-11-10-24-18(26)15-4-2-3-5-16(15)20(24,25)13-6-8-14(21)9-7-13;21-14-7-5-13(6-8-14)20-16-4-2-1-3-15(16)18(25)23(20)9-10-24(20)19(26)17-11-27-12-22-17/h1-11,14-15H,12-13H2;2-9,12H,10-11H2,1H3;2-9H,10-11H2,1H3;1-8,11-12H,9-10H2.
What are the key properties of 9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 1740.49 g/mol, XLogP of 14.27, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-[2-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazole-4-carbonyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(1,3-thiazole-4-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 160532189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).