2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide

C26H23F3N4O2 — CID 17029795

About 2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide

2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17029795) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 17029795
• Molecular Formula: C26H23F3N4O2
• Molecular Weight: 480.49 g/mol
• Exact Mass: 480.18
• IUPAC Name: 2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: Cc1ccccc1C(=O)NC(C)c1nc2ccccc2n1CC(=O)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C26H23F3N4O2/c1-16-8-3-4-11-20(16)25(35)30-17(2)24-32-21-12-5-6-13-22(21)33(24)15-23(34)31-19-10-7-9-18(14-19)26(27,28)29/h3-14,17H,15H2,1-2H3,(H,30,35)(H,31,34)
• InChIKey: DEAYXZWKSXEAIX-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.49
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide?

The IUPAC name of 2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17029795) is 2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide.

What is the SMILES notation for 2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide?

The canonical SMILES for 2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide is Cc1ccccc1C(=O)NC(C)c1nc2ccccc2n1CC(=O)Nc1cccc(C(F)(F)F)c1.

What is the InChIKey of 2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide?

The InChIKey is DEAYXZWKSXEAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-16-8-3-4-11-20(16)25(35)30-17(2)24-32-21-12-5-6-13-22(21)33(24)15-23(34)31-19-10-7-9-18(14-19)26(27,28)29/h3-14,17H,15H2,1-2H3,(H,30,35)(H,31,34).

What are the key properties of 2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide?

2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 480.49 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17029795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).