3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide

C25H25N3O3 — CID 46228641

About 3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide

3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide (PubChem CID 46228641) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
• PubChem CID: 46228641
• Molecular Formula: C25H25N3O3
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.19
• IUPAC Name: 3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
• SMILES: CCC(C)(C)c1cccc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)c1
• InChI: InChI=1S/C25H25N3O3/c1-4-25(2,3)17-9-5-8-16(14-17)23(29)26-18-10-6-11-19(15-18)31-21-13-7-12-20-22(21)28-24(30)27-20/h5-15H,4H2,1-3H3,(H,26,29)(H2,27,28,30)
• InChIKey: AIKJXDYVHVJKIU-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 86.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?

The IUPAC name of 3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide (CID 46228641) is 3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide.

What is the SMILES notation for 3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?

The canonical SMILES for 3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide is CCC(C)(C)c1cccc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)c1.

What is the InChIKey of 3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?

The InChIKey is AIKJXDYVHVJKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-4-25(2,3)17-9-5-8-16(14-17)23(29)26-18-10-6-11-19(15-18)31-21-13-7-12-20-22(21)28-24(30)27-20/h5-15H,4H2,1-3H3,(H,26,29)(H2,27,28,30).

What are the key properties of 3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?

3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 5.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methylbutan-2-yl)-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide is sourced from PubChem (CID 46228641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).