2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide

C26H19F6N5O3 — CID 90229274

About 2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide

2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 90229274) has the molecular formula C26H19F6N5O3 and a molecular weight of 563.46 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide
• PubChem CID: 90229274
• Molecular Formula: C26H19F6N5O3
• Molecular Weight: 563.46 g/mol
• Exact Mass: 563.14
• IUPAC Name: 2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide
• SMILES: NC(=O)Cc1nc2c(C(=O)NCc3ccccc3C(F)(F)F)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1
• InChI: InChI=1S/C26H19F6N5O3/c27-25(28,29)17-7-3-1-5-13(17)12-34-23(39)16-9-14(10-19-22(16)37-21(36-19)11-20(33)38)35-24(40)15-6-2-4-8-18(15)26(30,31)32/h1-10H,11-12H2,(H2,33,38)(H,34,39)(H,35,40)(H,36,37)
• InChIKey: NEWHHBJWSJQXIC-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 129.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.46
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide?

The IUPAC name of 2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide (CID 90229274) is 2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide.

What is the SMILES notation for 2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide?

The canonical SMILES for 2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide is NC(=O)Cc1nc2c(C(=O)NCc3ccccc3C(F)(F)F)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1.

What is the InChIKey of 2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide?

The InChIKey is NEWHHBJWSJQXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F6N5O3/c27-25(28,29)17-7-3-1-5-13(17)12-34-23(39)16-9-14(10-19-22(16)37-21(36-19)11-20(33)38)35-24(40)15-6-2-4-8-18(15)26(30,31)32/h1-10H,11-12H2,(H2,33,38)(H,34,39)(H,35,40)(H,36,37).

What are the key properties of 2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide?

2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 563.46 g/mol, XLogP of 4.81, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-2-oxoethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 90229274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).