9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C25H23ClN4O2 — CID 59025722

IUPAC9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(CNCCc1ccccn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN4O2/c26-19-10-8-18(9-11-19)25-22-7-2-1-6-21(22)24(32)30(25)16-15-29(25)23(31)17-27-14-12-20-5-3-4-13-28-20/h1-11,13,27H,12,14-17H2
InChIKeyIEIVXWQFPGCPEJ-UHFFFAOYSA-N
MW446.94 g/mol
LogP3.07
Rot. Bonds6

About 9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one

9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025722) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025722
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(CNCCc1ccccn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN4O2/c26-19-10-8-18(9-11-19)25-22-7-2-1-6-21(22)24(32)30(25)16-15-29(25)23(31)17-27-14-12-20-5-3-4-13-28-20/h1-11,13,27H,12,14-17H2
InChIKeyIEIVXWQFPGCPEJ-UHFFFAOYSA-N
XLogP3.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025722) is 9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C(CNCCc1ccccn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is IEIVXWQFPGCPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c26-19-10-8-18(9-11-19)25-22-7-2-1-6-21(22)24(32)30(25)16-15-29(25)23(31)17-27-14-12-20-5-3-4-13-28-20/h1-11,13,27H,12,14-17H2.
What are the key properties of 9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 446.94 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-[2-(2-pyridin-2-ylethylamino)acetyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).