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

C17H11N3O3 — CID 4630017

IUPAC2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(=O)n1cnc2ccccc21
InChIInChI=1S/C17H11N3O3/c21-15(20-10-18-13-7-3-4-8-14(13)20)9-19-16(22)11-5-1-2-6-12(11)17(19)23/h1-8,10H,9H2
InChIKeyMFVZCNMOXFTRIH-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.97
Rot. Bonds2

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

2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 4630017) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID4630017
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC Name2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(=O)n1cnc2ccccc21
InChIInChI=1S/C17H11N3O3/c21-15(20-10-18-13-7-3-4-8-14(13)20)9-19-16(22)11-5-1-2-6-12(11)17(19)23/h1-8,10H,9H2
InChIKeyMFVZCNMOXFTRIH-UHFFFAOYSA-N
XLogP1.97
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(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-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione (CID 4630017) is 2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(=O)n1cnc2ccccc21.
What is the InChIKey of 2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is MFVZCNMOXFTRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c21-15(20-10-18-13-7-3-4-8-14(13)20)9-19-16(22)11-5-1-2-6-12(11)17(19)23/h1-8,10H,9H2.
What are the key properties of 2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 305.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzimidazol-1-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 4630017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).