3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide

C22H14F5N3O — CID 18284494

About 3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide

3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide (PubChem CID 18284494) has the molecular formula C22H14F5N3O and a molecular weight of 431.36 g/mol. Its IUPAC name is 3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide
• PubChem CID: 18284494
• Molecular Formula: C22H14F5N3O
• Molecular Weight: 431.36 g/mol
• Exact Mass: 431.11
• IUPAC Name: 3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide
• SMILES: O=C(NC(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cc(F)cc(F)c1
• InChI: InChI=1S/C22H14F5N3O/c23-15-8-14(9-16(24)11-15)20(31)30-19(12-4-2-1-3-5-12)13-6-7-17-18(10-13)29-21(28-17)22(25,26)27/h1-11,19H,(H,28,29)(H,30,31)
• InChIKey: YSUWSXQWUMTQKD-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.36
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide?

The IUPAC name of 3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide (CID 18284494) is 3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide.

What is the SMILES notation for 3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide?

The canonical SMILES for 3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide is O=C(NC(c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cc(F)cc(F)c1.

What is the InChIKey of 3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide?

The InChIKey is YSUWSXQWUMTQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5N3O/c23-15-8-14(9-16(24)11-15)20(31)30-19(12-4-2-1-3-5-12)13-6-7-17-18(10-13)29-21(28-17)22(25,26)27/h1-11,19H,(H,28,29)(H,30,31).

What are the key properties of 3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide?

3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide has a molecular weight of 431.36 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide is sourced from PubChem (CID 18284494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).