N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

C25H21F3N4O3 — CID 55380927

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (PubChem CID 55380927) has the molecular formula C25H21F3N4O3 and a molecular weight of 482.46 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.

Molecular Properties

• Compound Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
• PubChem CID: 55380927
• Molecular Formula: C25H21F3N4O3
• Molecular Weight: 482.46 g/mol
• Exact Mass: 482.16
• IUPAC Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
• SMILES: CC(NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C25H21F3N4O3/c1-15(23-31-20-7-2-3-8-21(20)32-23)29-24(34)16-9-11-19(12-10-16)35-14-22(33)30-18-6-4-5-17(13-18)25(26,27)28/h2-13,15H,14H2,1H3,(H,29,34)(H,30,33)(H,31,32)
• InChIKey: XJPWGSDNSVZHSG-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 96.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.46
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?

The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (CID 55380927) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.

What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?

The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is CC(NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1nc2ccccc2[nH]1.

What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?

The InChIKey is XJPWGSDNSVZHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O3/c1-15(23-31-20-7-2-3-8-21(20)32-23)29-24(34)16-9-11-19(12-10-16)35-14-22(33)30-18-6-4-5-17(13-18)25(26,27)28/h2-13,15H,14H2,1H3,(H,29,34)(H,30,33)(H,31,32).

What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide has a molecular weight of 482.46 g/mol, XLogP of 5.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is sourced from PubChem (CID 55380927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).