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

C25H20ClF3N4O2 — CID 17029844

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

2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17029844) has the molecular formula C25H20ClF3N4O2 and a molecular weight of 500.91 g/mol. Its IUPAC name is 2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 17029844
• Molecular Formula: C25H20ClF3N4O2
• Molecular Weight: 500.91 g/mol
• Exact Mass: 500.12
• IUPAC Name: 2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: CC(NC(=O)c1ccccc1Cl)c1nc2ccccc2n1CC(=O)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C25H20ClF3N4O2/c1-15(30-24(35)18-9-2-3-10-19(18)26)23-32-20-11-4-5-12-21(20)33(23)14-22(34)31-17-8-6-7-16(13-17)25(27,28)29/h2-13,15H,14H2,1H3,(H,30,35)(H,31,34)
• InChIKey: IFKNUJODCYUDHM-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.91
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17029844) is 2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide.

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

The canonical SMILES for 2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide is CC(NC(=O)c1ccccc1Cl)c1nc2ccccc2n1CC(=O)Nc1cccc(C(F)(F)F)c1.

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

The InChIKey is IFKNUJODCYUDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4O2/c1-15(30-24(35)18-9-2-3-10-19(18)26)23-32-20-11-4-5-12-21(20)33(23)14-22(34)31-17-8-6-7-16(13-17)25(27,28)29/h2-13,15H,14H2,1H3,(H,30,35)(H,31,34).

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

2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 500.91 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17029844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).