5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

C28H26N4O4 — CID 55340080

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (PubChem CID 55340080) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
• PubChem CID: 55340080
• Molecular Formula: C28H26N4O4
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.20
• IUPAC Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
• SMILES: COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCCn1c(C)nc2ccccc21
• InChI: InChI=1S/C28H26N4O4/c1-18-30-23-10-5-6-11-24(23)31(18)15-7-14-29-26(33)22-16-19(12-13-25(22)36-2)17-32-27(34)20-8-3-4-9-21(20)28(32)35/h3-6,8-13,16H,7,14-15,17H2,1-2H3,(H,29,33)
• InChIKey: ODDKVFOQWMZWSG-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?

The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (CID 55340080) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.

What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?

The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCCn1c(C)nc2ccccc21.

What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?

The InChIKey is ODDKVFOQWMZWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-18-30-23-10-5-6-11-24(23)31(18)15-7-14-29-26(33)22-16-19(12-13-25(22)36-2)17-32-27(34)20-8-3-4-9-21(20)28(32)35/h3-6,8-13,16H,7,14-15,17H2,1-2H3,(H,29,33).

What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide has a molecular weight of 482.54 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 55340080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).