2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide

C23H16F3N5OS — CID 44530736

About 2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide

2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide (PubChem CID 44530736) has the molecular formula C23H16F3N5OS and a molecular weight of 467.48 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide
• PubChem CID: 44530736
• Molecular Formula: C23H16F3N5OS
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.10
• IUPAC Name: 2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide
• SMILES: O=C(Cc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)c1
• InChI: InChI=1S/C23H16F3N5OS/c24-23(25,26)14-4-5-17-18(9-14)31-22(30-17)20-7-6-19(33-20)13-2-1-3-15(8-13)29-21(32)10-16-11-27-12-28-16/h1-9,11-12H,10H2,(H,27,28)(H,29,32)(H,30,31)
• InChIKey: YKOMKGQLZFTRRC-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide (CID 44530736) is 2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide.

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

The canonical SMILES for 2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide is O=C(Cc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)c1.

What is the InChIKey of 2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide?

The InChIKey is YKOMKGQLZFTRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5OS/c24-23(25,26)14-4-5-17-18(9-14)31-22(30-17)20-7-6-19(33-20)13-2-1-3-15(8-13)29-21(32)10-16-11-27-12-28-16/h1-9,11-12H,10H2,(H,27,28)(H,29,32)(H,30,31).

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

2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide has a molecular weight of 467.48 g/mol, XLogP of 5.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide is sourced from PubChem (CID 44530736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).