4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

C183H188N22O33 — CID 160740813

IUPAC4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
SMILESCC(C)(C)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)cn1.CC(C)(C)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)nn1.Cc1nc(C)n(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)c1C.Cc1ncn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)c1C.Cc1nnc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)o1.O=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)no4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5Cc6ccccc6C5)cc4)cccc3C2=O)C(=O)C1.O=CO
InChIInChI=1S/C30H28N2O4.C29H31N3O4.C28H30N4O4.C28H29N3O4.C27H27N3O4.C22H24N4O6.C18H17N3O5.CH2O2/c33-24-12-13-27(28(34)14-24)32-18-26-25(30(32)35)6-3-7-29(26)36-19-21-10-8-20(9-11-21)15-31-16-22-4-1-2-5-23(22)17-31;1-29(2,3)27-16-31(18-30-27)14-19-7-9-20(10-8-19)17-36-26-6-4-5-22-23(26)15-32(28(22)35)24-12-11-21(33)13-25(24)34;1-28(2,3)26-16-31(30-29-26)14-18-7-9-19(10-8-18)17-36-25-6-4-5-21-22(25)15-32(27(21)35)23-12-11-20(33)13-24(23)34;1-17-18(2)30(19(3)29-17)14-20-7-9-21(10-8-20)16-35-27-6-4-5-23-24(27)15-31(28(23)34)25-12-11-22(32)13-26(25)33;1-17-18(2)29(16-28-17)13-19-6-8-20(9-7-19)15-34-26-5-3-4-22-23(26)14-30(27(22)33)24-11-10-21(31)12-25(24)32;27-20-5-4-18(21(28)23-20)26-12-17-16(22(26)29)2-1-3-19(17)31-13-15-10-14(24-32-15)11-25-6-8-30-9-7-25;1-10-19-20-17(26-10)9-25-16-4-2-3-12-13(16)8-21(18(12)24)14-6-5-11(22)7-15(14)23;2-1-3/h1-11,27H,12-19H2;4-10,16,18,24H,11-15,17H2,1-3H3;4-10,16,23H,11-15,17H2,1-3H3;4-10,25H,11-16H2,1-3H3;3-9,16,24H,10-15H2,1-2H3;1-3,10,18H,4-9,11-13H2,(H,23,27,28);2-4,14H,5-9H2,1H3;1H,(H,2,3)
InChIKeyRVOBHJMJRVLJLT-UHFFFAOYSA-N
MW3223.64 g/mol
LogP22.74
Rot. Bonds40

About 4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (PubChem CID 160740813) has the molecular formula C183H188N22O33 and a molecular weight of 3223.64 g/mol. Its IUPAC name is 4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

Molecular Properties

Compound Name4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
PubChem CID160740813
Molecular FormulaC183H188N22O33
Molecular Weight3223.64 g/mol
Exact Mass3221.37
IUPAC Name4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
SMILESCC(C)(C)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)cn1.CC(C)(C)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)nn1.Cc1nc(C)n(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)c1C.Cc1ncn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)c1C.Cc1nnc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)o1.O=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)no4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5Cc6ccccc6C5)cc4)cccc3C2=O)C(=O)C1.O=CO
InChIInChI=1S/C30H28N2O4.C29H31N3O4.C28H30N4O4.C28H29N3O4.C27H27N3O4.C22H24N4O6.C18H17N3O5.CH2O2/c33-24-12-13-27(28(34)14-24)32-18-26-25(30(32)35)6-3-7-29(26)36-19-21-10-8-20(9-11-21)15-31-16-22-4-1-2-5-23(22)17-31;1-29(2,3)27-16-31(18-30-27)14-19-7-9-20(10-8-19)17-36-26-6-4-5-22-23(26)15-32(28(22)35)24-12-11-21(33)13-25(24)34;1-28(2,3)26-16-31(30-29-26)14-18-7-9-19(10-8-18)17-36-25-6-4-5-21-22(25)15-32(27(21)35)23-12-11-20(33)13-24(23)34;1-17-18(2)30(19(3)29-17)14-20-7-9-21(10-8-20)16-35-27-6-4-5-23-24(27)15-31(28(23)34)25-12-11-22(32)13-26(25)33;1-17-18(2)29(16-28-17)13-19-6-8-20(9-7-19)15-34-26-5-3-4-22-23(26)14-30(27(22)33)24-11-10-21(31)12-25(24)32;27-20-5-4-18(21(28)23-20)26-12-17-16(22(26)29)2-1-3-19(17)31-13-15-10-14(24-32-15)11-25-6-8-30-9-7-25;1-10-19-20-17(26-10)9-25-16-4-2-3-12-13(16)8-21(18(12)24)14-6-5-11(22)7-15(14)23;2-1-3/h1-11,27H,12-19H2;4-10,16,18,24H,11-15,17H2,1-3H3;4-10,16,23H,11-15,17H2,1-3H3;4-10,25H,11-16H2,1-3H3;3-9,16,24H,10-15H2,1-2H3;1-3,10,18H,4-9,11-13H2,(H,23,27,28);2-4,14H,5-9H2,1H3;1H,(H,2,3)
InChIKeyRVOBHJMJRVLJLT-UHFFFAOYSA-N
XLogP22.74
TPSA659.92 Ų
H-Bond Donors2
H-Bond Acceptors46
Rotatable Bonds40
Heavy Atoms238
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003223.64
LogP ≤ 522.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?
The IUPAC name of 4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (CID 160740813) is 4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.
What is the SMILES notation for 4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?
The canonical SMILES for 4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is CC(C)(C)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)cn1.CC(C)(C)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)nn1.Cc1nc(C)n(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)c1C.Cc1ncn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)c1C.Cc1nnc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)o1.O=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)no4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5Cc6ccccc6C5)cc4)cccc3C2=O)C(=O)C1.O=CO.
What is the InChIKey of 4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?
The InChIKey is RVOBHJMJRVLJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4.C29H31N3O4.C28H30N4O4.C28H29N3O4.C27H27N3O4.C22H24N4O6.C18H17N3O5.CH2O2/c33-24-12-13-27(28(34)14-24)32-18-26-25(30(32)35)6-3-7-29(26)36-19-21-10-8-20(9-11-21)15-31-16-22-4-1-2-5-23(22)17-31;1-29(2,3)27-16-31(18-30-27)14-19-7-9-20(10-8-19)17-36-26-6-4-5-22-23(26)15-32(28(22)35)24-12-11-21(33)13-25(24)34;1-28(2,3)26-16-31(30-29-26)14-18-7-9-19(10-8-18)17-36-25-6-4-5-21-22(25)15-32(27(21)35)23-12-11-20(33)13-24(23)34;1-17-18(2)30(19(3)29-17)14-20-7-9-21(10-8-20)16-35-27-6-4-5-23-24(27)15-31(28(23)34)25-12-11-22(32)13-26(25)33;1-17-18(2)29(16-28-17)13-19-6-8-20(9-7-19)15-34-26-5-3-4-22-23(26)14-30(27(22)33)24-11-10-21(31)12-25(24)32;27-20-5-4-18(21(28)23-20)26-12-17-16(22(26)29)2-1-3-19(17)31-13-15-10-14(24-32-15)11-25-6-8-30-9-7-25;1-10-19-20-17(26-10)9-25-16-4-2-3-12-13(16)8-21(18(12)24)14-6-5-11(22)7-15(14)23;2-1-3/h1-11,27H,12-19H2;4-10,16,18,24H,11-15,17H2,1-3H3;4-10,16,23H,11-15,17H2,1-3H3;4-10,25H,11-16H2,1-3H3;3-9,16,24H,10-15H2,1-2H3;1-3,10,18H,4-9,11-13H2,(H,23,27,28);2-4,14H,5-9H2,1H3;1H,(H,2,3).
What are the key properties of 4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?
4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione has a molecular weight of 3223.64 g/mol, XLogP of 22.74, 40 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;4-[7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 160740813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).