9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C127H139Cl5N16O10 — CID 158274975

About 9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 158274975) has the molecular formula C127H139Cl5N16O10 and a molecular weight of 2226.88 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

• Compound Name: 9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
• PubChem CID: 158274975
• Molecular Formula: C127H139Cl5N16O10
• Molecular Weight: 2226.88 g/mol
• Exact Mass: 2222.93
• IUPAC Name: 9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
• SMILES: O=C(CCCC1CCNCC1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(CCCCCN1CCCC1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(CCCCN1CCCC1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(CCCCN1CCNCC1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(CCCCc1ccncc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
• InChI: InChI=1S/C26H24ClN3O2.C26H30ClN3O2.C25H29ClN4O2.2C25H28ClN3O2/c27-21-11-9-20(10-12-21)26-23-7-3-2-6-22(23)25(32)30(26)18-17-29(26)24(31)8-4-1-5-19-13-15-28-16-14-19;27-21-13-11-20(12-14-21)26-23-9-4-3-8-22(23)25(32)30(26)19-18-29(26)24(31)10-2-1-5-15-28-16-6-7-17-28;26-20-10-8-19(9-11-20)25-22-6-2-1-5-21(22)24(32)30(25)18-17-29(25)23(31)7-3-4-14-28-15-12-27-13-16-28;26-20-12-10-19(11-13-20)25-22-8-2-1-7-21(22)24(31)29(25)18-17-28(25)23(30)9-3-4-14-27-15-5-6-16-27;26-20-10-8-19(9-11-20)25-22-6-2-1-5-21(22)24(31)29(25)17-16-28(25)23(30)7-3-4-18-12-14-27-15-13-18/h2-3,6-7,9-16H,1,4-5,8,17-18H2;3-4,8-9,11-14H,1-2,5-7,10,15-19H2;1-2,5-6,8-11,27H,3-4,7,12-18H2;1-2,7-8,10-13H,3-6,9,14-18H2;1-2,5-6,8-11,18,27H,3-4,7,12-17H2
• InChIKey: GJMNRQISXUDIFX-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 249.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 30
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2226.88
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?

The IUPAC name of 9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 158274975) is 9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

What is the SMILES notation for 9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?

The canonical SMILES for 9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C(CCCC1CCNCC1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(CCCCCN1CCCC1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(CCCCN1CCCC1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(CCCCN1CCNCC1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.O=C(CCCCc1ccncc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.

What is the InChIKey of 9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?

The InChIKey is GJMNRQISXUDIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2.C26H30ClN3O2.C25H29ClN4O2.2C25H28ClN3O2/c27-21-11-9-20(10-12-21)26-23-7-3-2-6-22(23)25(32)30(26)18-17-29(26)24(31)8-4-1-5-19-13-15-28-16-14-19;27-21-13-11-20(12-14-21)26-23-9-4-3-8-22(23)25(32)30(26)19-18-29(26)24(31)10-2-1-5-15-28-16-6-7-17-28;26-20-10-8-19(9-11-20)25-22-6-2-1-5-21(22)24(32)30(25)18-17-29(25)23(31)7-3-4-14-28-15-12-27-13-16-28;26-20-12-10-19(11-13-20)25-22-8-2-1-7-21(22)24(31)29(25)18-17-28(25)23(30)9-3-4-14-27-15-5-6-16-27;26-20-10-8-19(9-11-20)25-22-6-2-1-5-21(22)24(31)29(25)17-16-28(25)23(30)7-3-4-18-12-14-27-15-13-18/h2-3,6-7,9-16H,1,4-5,8,17-18H2;3-4,8-9,11-14H,1-2,5-7,10,15-19H2;1-2,5-6,8-11,27H,3-4,7,12-18H2;1-2,7-8,10-13H,3-6,9,14-18H2;1-2,5-6,8-11,18,27H,3-4,7,12-17H2.

What are the key properties of 9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?

9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 2226.88 g/mol, XLogP of 20.17, 30 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 9b-(4-chlorophenyl)-1-(5-piperazin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-piperidin-4-ylbutanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyridin-4-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylhexanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(5-pyrrolidin-1-ylpentanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 158274975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).