2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide

C25H22F3N3O2 — CID 42936148

About 2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide

2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide (PubChem CID 42936148) has the molecular formula C25H22F3N3O2 and a molecular weight of 453.46 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
• PubChem CID: 42936148
• Molecular Formula: C25H22F3N3O2
• Molecular Weight: 453.46 g/mol
• Exact Mass: 453.17
• IUPAC Name: 2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
• SMILES: COc1ccc(C)cc1CC(=O)NC(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1
• InChI: InChI=1S/C25H22F3N3O2/c1-15-8-11-21(33-2)18(12-15)14-22(32)31-23(16-6-4-3-5-7-16)17-9-10-19-20(13-17)30-24(29-19)25(26,27)28/h3-13,23H,14H2,1-2H3,(H,29,30)(H,31,32)
• InChIKey: RLBWYZZMXHORNW-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.46
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide?

The IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide (CID 42936148) is 2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide.

What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide?

The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide is COc1ccc(C)cc1CC(=O)NC(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1.

What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide?

The InChIKey is RLBWYZZMXHORNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O2/c1-15-8-11-21(33-2)18(12-15)14-22(32)31-23(16-6-4-3-5-7-16)17-9-10-19-20(13-17)30-24(29-19)25(26,27)28/h3-13,23H,14H2,1-2H3,(H,29,30)(H,31,32).

What are the key properties of 2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide?

2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide has a molecular weight of 453.46 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxy-5-methylphenyl)-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 42936148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).