2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione

C27H19N3O4 — CID 11510674

IUPAC2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1c(CN2C(=O)c3ccccc3C2=O)[nH]c2ccccc12
InChIInChI=1S/C27H19N3O4/c31-24-18-8-1-2-9-19(18)25(32)29(24)14-13-17-16-7-5-6-12-22(16)28-23(17)15-30-26(33)20-10-3-4-11-21(20)27(30)34/h1-12,28H,13-15H2
InChIKeyWMEAPSMBFPHBAY-UHFFFAOYSA-N
MW449.47 g/mol
LogP3.80
Rot. Bonds5

About 2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione

2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione (PubChem CID 11510674) has the molecular formula C27H19N3O4 and a molecular weight of 449.47 g/mol. Its IUPAC name is 2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione
PubChem CID11510674
Molecular FormulaC27H19N3O4
Molecular Weight449.47 g/mol
Exact Mass449.14
IUPAC Name2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1c(CN2C(=O)c3ccccc3C2=O)[nH]c2ccccc12
InChIInChI=1S/C27H19N3O4/c31-24-18-8-1-2-9-19(18)25(32)29(24)14-13-17-16-7-5-6-12-22(16)28-23(17)15-30-26(33)20-10-3-4-11-21(20)27(30)34/h1-12,28H,13-15H2
InChIKeyWMEAPSMBFPHBAY-UHFFFAOYSA-N
XLogP3.80
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione 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 2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione (CID 11510674) is 2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1c(CN2C(=O)c3ccccc3C2=O)[nH]c2ccccc12.
What is the InChIKey of 2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione?
The InChIKey is WMEAPSMBFPHBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O4/c31-24-18-8-1-2-9-19(18)25(32)29(24)14-13-17-16-7-5-6-12-22(16)28-23(17)15-30-26(33)20-10-3-4-11-21(20)27(30)34/h1-12,28H,13-15H2.
What are the key properties of 2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione?
2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione has a molecular weight of 449.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(1,3-dioxoisoindol-2-yl)methyl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 11510674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).