2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione

C23H14ClN3O3 — CID 135122097

IUPAC2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(=O)n1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C23H14ClN3O3/c24-15-11-9-14(10-12-15)21-25-18-7-3-4-8-19(18)27(21)20(28)13-26-22(29)16-5-1-2-6-17(16)23(26)30/h1-12H,13H2
InChIKeyGABKPHPPWVUMFU-UHFFFAOYSA-N
MW415.84 g/mol
LogP4.29
Rot. Bonds3

About 2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 135122097) has the molecular formula C23H14ClN3O3 and a molecular weight of 415.84 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID135122097
Molecular FormulaC23H14ClN3O3
Molecular Weight415.84 g/mol
Exact Mass415.07
IUPAC Name2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(=O)n1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C23H14ClN3O3/c24-15-11-9-14(10-12-15)21-25-18-7-3-4-8-19(18)27(21)20(28)13-26-22(29)16-5-1-2-6-17(16)23(26)30/h1-12H,13H2
InChIKeyGABKPHPPWVUMFU-UHFFFAOYSA-N
XLogP4.29
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.84
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]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-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 135122097) is 2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(=O)n1c(-c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is GABKPHPPWVUMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN3O3/c24-15-11-9-14(10-12-15)21-25-18-7-3-4-8-19(18)27(21)20(28)13-26-22(29)16-5-1-2-6-17(16)23(26)30/h1-12H,13H2.
What are the key properties of 2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 415.84 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 135122097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).