2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione

C97H91N11O13 — CID 159983841

About 2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione

2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione (PubChem CID 159983841) has the molecular formula C97H91N11O13 and a molecular weight of 1618.86 g/mol. Its IUPAC name is 2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione
• PubChem CID: 159983841
• Molecular Formula: C97H91N11O13
• Molecular Weight: 1618.86 g/mol
• Exact Mass: 1617.68
• IUPAC Name: 2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione
• SMILES: CCC1CN(c2ccccc2)CCN1c1cccc(O)c1.O=C1c2ccccc2C(=O)N1OCCC1CN(c2ccccc2)CCN1c1cccc(O)c1.O=C1c2ccccc2C(=O)N1OCCc1c(-c2ccccc2)ncn1Cc1cccc(O)c1.O=C1c2ccccc2C(=O)N1OCCc1c(Cc2ccccc2)ncn1Cc1cccc(O)c1
• InChI: InChI=1S/C27H23N3O4.C26H21N3O4.C26H25N3O4.C18H22N2O/c31-21-10-6-9-20(15-21)17-29-18-28-24(16-19-7-2-1-3-8-19)25(29)13-14-34-30-26(32)22-11-4-5-12-23(22)27(30)33;30-20-10-6-7-18(15-20)16-28-17-27-24(19-8-2-1-3-9-19)23(28)13-14-33-29-25(31)21-11-4-5-12-22(21)26(29)32;30-22-10-6-9-20(17-22)28-15-14-27(19-7-2-1-3-8-19)18-21(28)13-16-33-29-25(31)23-11-4-5-12-24(23)26(29)32;1-2-15-14-19(16-7-4-3-5-8-16)11-12-20(15)17-9-6-10-18(21)13-17/h1-12,15,18,31H,13-14,16-17H2;1-12,15,17,30H,13-14,16H2;1-12,17,21,30H,13-16,18H2;3-10,13,15,21H,2,11-12,14H2,1H3
• InChIKey: OGBSGHJPENLQRU-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 269.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1618.86
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione?

The IUPAC name of 2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione (CID 159983841) is 2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione?

The canonical SMILES for 2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione is CCC1CN(c2ccccc2)CCN1c1cccc(O)c1.O=C1c2ccccc2C(=O)N1OCCC1CN(c2ccccc2)CCN1c1cccc(O)c1.O=C1c2ccccc2C(=O)N1OCCc1c(-c2ccccc2)ncn1Cc1cccc(O)c1.O=C1c2ccccc2C(=O)N1OCCc1c(Cc2ccccc2)ncn1Cc1cccc(O)c1.

What is the InChIKey of 2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione?

The InChIKey is OGBSGHJPENLQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4.C26H21N3O4.C26H25N3O4.C18H22N2O/c31-21-10-6-9-20(15-21)17-29-18-28-24(16-19-7-2-1-3-8-19)25(29)13-14-34-30-26(32)22-11-4-5-12-23(22)27(30)33;30-20-10-6-7-18(15-20)16-28-17-27-24(19-8-2-1-3-9-19)23(28)13-14-33-29-25(31)21-11-4-5-12-22(21)26(29)32;30-22-10-6-9-20(17-22)28-15-14-27(19-7-2-1-3-8-19)18-21(28)13-16-33-29-25(31)23-11-4-5-12-24(23)26(29)32;1-2-15-14-19(16-7-4-3-5-8-16)11-12-20(15)17-9-6-10-18(21)13-17/h1-12,15,18,31H,13-14,16-17H2;1-12,15,17,30H,13-14,16H2;1-12,17,21,30H,13-16,18H2;3-10,13,15,21H,2,11-12,14H2,1H3.

What are the key properties of 2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione?

2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione has a molecular weight of 1618.86 g/mol, XLogP of 15.28, 24 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 159983841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).