2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione

C26H19Cl2N3O3 — CID 141108175

About 2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione

2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione (PubChem CID 141108175) has the molecular formula C26H19Cl2N3O3 and a molecular weight of 492.36 g/mol. Its IUPAC name is 2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione
• PubChem CID: 141108175
• Molecular Formula: C26H19Cl2N3O3
• Molecular Weight: 492.36 g/mol
• Exact Mass: 491.08
• IUPAC Name: 2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione
• SMILES: Cc1ccccc1C(=O)n1c(CCCN2C(=O)c3ccccc3C2=O)nc2cc(Cl)c(Cl)cc21
• InChI: InChI=1S/C26H19Cl2N3O3/c1-15-7-2-3-8-16(15)26(34)31-22-14-20(28)19(27)13-21(22)29-23(31)11-6-12-30-24(32)17-9-4-5-10-18(17)25(30)33/h2-5,7-10,13-14H,6,11-12H2,1H3
• InChIKey: RTYQHSOUIYYUMI-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 72.27 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.36
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione?

The IUPAC name of 2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione (CID 141108175) is 2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione?

The canonical SMILES for 2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione is Cc1ccccc1C(=O)n1c(CCCN2C(=O)c3ccccc3C2=O)nc2cc(Cl)c(Cl)cc21.

What is the InChIKey of 2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione?

The InChIKey is RTYQHSOUIYYUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3O3/c1-15-7-2-3-8-16(15)26(34)31-22-14-20(28)19(27)13-21(22)29-23(31)11-6-12-30-24(32)17-9-4-5-10-18(17)25(30)33/h2-5,7-10,13-14H,6,11-12H2,1H3.

What are the key properties of 2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione?

2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione has a molecular weight of 492.36 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5,6-dichloro-1-(2-methylbenzoyl)benzimidazol-2-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 141108175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).