4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

C167H170N18O28 — CID 158665014

About 4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (PubChem CID 158665014) has the molecular formula C167H170N18O28 and a molecular weight of 2877.29 g/mol. Its IUPAC name is 4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

Molecular Properties

• Compound Name: 4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
• PubChem CID: 158665014
• Molecular Formula: C167H170N18O28
• Molecular Weight: 2877.29 g/mol
• Exact Mass: 2875.24
• IUPAC Name: 4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
• SMILES: CC(C)N1CCC(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)CC1.Cn1c(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)nc2ccccc21.O=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)co4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(Cc5nc6ccccc6[nH]5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc5nc(CN6CCOCC6)cn5c4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc5ncc(CN6CCOCC6)n5c4)cccc3C2=O)C(=O)C1
• InChI: InChI=1S/C30H27N3O4.C30H36N2O4.C29H25N3O4.2C27H28N4O5.C24H26N2O6/c1-32-25-7-3-2-6-24(25)31-29(32)15-19-9-11-20(12-10-19)18-37-28-8-4-5-22-23(28)17-33(30(22)36)26-14-13-21(34)16-27(26)35;1-20(2)31-14-12-22(13-15-31)16-21-6-8-23(9-7-21)19-36-29-5-3-4-25-26(29)18-32(30(25)35)27-11-10-24(33)17-28(27)34;33-20-12-13-25(26(34)15-20)32-16-22-21(29(32)35)4-3-7-27(22)36-17-19-10-8-18(9-11-19)14-28-30-23-5-1-2-6-24(23)31-28;32-20-5-6-23(24(33)12-20)31-16-22-21(27(31)34)2-1-3-25(22)36-17-18-4-7-26-28-13-19(30(26)14-18)15-29-8-10-35-11-9-29;32-20-5-6-23(24(33)12-20)31-16-22-21(27(31)34)2-1-3-25(22)36-17-18-4-7-26-28-19(15-30(26)13-18)14-29-8-10-35-11-9-29;27-17-4-5-21(22(28)11-17)26-13-20-19(24(26)29)2-1-3-23(20)32-15-18-10-16(14-31-18)12-25-6-8-30-9-7-25/h2-12,26H,13-18H2,1H3;3-9,20,22,27H,10-19H2,1-2H3;1-11,25H,12-17H2,(H,30,31);1-4,7,13-14,23H,5-6,8-12,15-17H2;1-4,7,13,15,23H,5-6,8-12,14,16-17H2;1-3,10,14,21H,4-9,11-13,15H2
• InChIKey: IDFXHQQETDRQNN-UHFFFAOYSA-N
• XLogP: 20.47
• TPSA: 516.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 39
• Rotatable Bonds: 37
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2877.29
LogP ≤ 5	20.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The IUPAC name of 4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (CID 158665014) is 4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

What is the SMILES notation for 4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The canonical SMILES for 4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is CC(C)N1CCC(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)CC1.Cn1c(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)nc2ccccc21.O=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)co4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(Cc5nc6ccccc6[nH]5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc5nc(CN6CCOCC6)cn5c4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc5ncc(CN6CCOCC6)n5c4)cccc3C2=O)C(=O)C1.

What is the InChIKey of 4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The InChIKey is IDFXHQQETDRQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4.C30H36N2O4.C29H25N3O4.2C27H28N4O5.C24H26N2O6/c1-32-25-7-3-2-6-24(25)31-29(32)15-19-9-11-20(12-10-19)18-37-28-8-4-5-22-23(28)17-33(30(22)36)26-14-13-21(34)16-27(26)35;1-20(2)31-14-12-22(13-15-31)16-21-6-8-23(9-7-21)19-36-29-5-3-4-25-26(29)18-32(30(25)35)27-11-10-24(33)17-28(27)34;33-20-12-13-25(26(34)15-20)32-16-22-21(29(32)35)4-3-7-27(22)36-17-19-10-8-18(9-11-19)14-28-30-23-5-1-2-6-24(23)31-28;32-20-5-6-23(24(33)12-20)31-16-22-21(27(31)34)2-1-3-25(22)36-17-18-4-7-26-28-13-19(30(26)14-18)15-29-8-10-35-11-9-29;32-20-5-6-23(24(33)12-20)31-16-22-21(27(31)34)2-1-3-25(22)36-17-18-4-7-26-28-19(15-30(26)13-18)14-29-8-10-35-11-9-29;27-17-4-5-21(22(28)11-17)26-13-20-19(24(26)29)2-1-3-23(20)32-15-18-10-16(14-31-18)12-25-6-8-30-9-7-25/h2-12,26H,13-18H2,1H3;3-9,20,22,27H,10-19H2,1-2H3;1-11,25H,12-17H2,(H,30,31);1-4,7,13-14,23H,5-6,8-12,15-17H2;1-4,7,13,15,23H,5-6,8-12,14,16-17H2;1-3,10,14,21H,4-9,11-13,15H2.

What are the key properties of 4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione has a molecular weight of 2877.29 g/mol, XLogP of 20.47, 37 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(morpholin-4-ylmethyl)furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 158665014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).