2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

C26H23F3N2OS — CID 26434941

About 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 26434941) has the molecular formula C26H23F3N2OS and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

• Compound Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
• PubChem CID: 26434941
• Molecular Formula: C26H23F3N2OS
• Molecular Weight: 468.54 g/mol
• Exact Mass: 468.15
• IUPAC Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
• SMILES: Cc1cc(C)c(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(C)c1
• InChI: InChI=1S/C26H23F3N2OS/c1-16-11-17(2)24(18(3)12-16)23(32)15-33-25-30-21-13-20(26(27,28)29)9-10-22(21)31(25)14-19-7-5-4-6-8-19/h4-13H,14-15H2,1-3H3
• InChIKey: UPQOCJIUDBBUFL-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 34.89 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.54
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?

The IUPAC name of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (CID 26434941) is 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.

What is the SMILES notation for 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?

The canonical SMILES for 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(C)c1.

What is the InChIKey of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?

The InChIKey is UPQOCJIUDBBUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2OS/c1-16-11-17(2)24(18(3)12-16)23(32)15-33-25-30-21-13-20(26(27,28)29)9-10-22(21)31(25)14-19-7-5-4-6-8-19/h4-13H,14-15H2,1-3H3.

What are the key properties of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?

2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 468.54 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 26434941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).