2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide

C27H21F3N4OS — CID 44530781

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide (PubChem CID 44530781) has the molecular formula C27H21F3N4OS and a molecular weight of 506.55 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide
• PubChem CID: 44530781
• Molecular Formula: C27H21F3N4OS
• Molecular Weight: 506.55 g/mol
• Exact Mass: 506.14
• IUPAC Name: 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide
• SMILES: Cc1nc(C)c(CC(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)s1
• InChI: InChI=1S/C27H21F3N4OS/c1-15-24(36-16(2)31-15)14-25(35)32-21-8-4-6-18(12-21)17-5-3-7-19(11-17)26-33-22-10-9-20(27(28,29)30)13-23(22)34-26/h3-13H,14H2,1-2H3,(H,32,35)(H,33,34)
• InChIKey: PVQGQPLKNLQXHD-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.55
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide?

The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide (CID 44530781) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide.

What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide?

The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide is Cc1nc(C)c(CC(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)s1.

What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide?

The InChIKey is PVQGQPLKNLQXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N4OS/c1-15-24(36-16(2)31-15)14-25(35)32-21-8-4-6-18(12-21)17-5-3-7-19(11-17)26-33-22-10-9-20(27(28,29)30)13-23(22)34-26/h3-13H,14H2,1-2H3,(H,32,35)(H,33,34).

What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide?

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide has a molecular weight of 506.55 g/mol, XLogP of 7.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide is sourced from PubChem (CID 44530781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).