2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

C26H20F3N5O4 — CID 144531984

About 2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (PubChem CID 144531984) has the molecular formula C26H20F3N5O4 and a molecular weight of 523.47 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
• PubChem CID: 144531984
• Molecular Formula: C26H20F3N5O4
• Molecular Weight: 523.47 g/mol
• Exact Mass: 523.15
• IUPAC Name: 2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
• SMILES: COCc1nc2c(C(=O)Nc3nc4ccc(C)cc4o3)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1
• InChI: InChI=1S/C26H20F3N5O4/c1-13-7-8-18-20(9-13)38-25(32-18)34-24(36)16-10-14(11-19-22(16)33-21(31-19)12-37-2)30-23(35)15-5-3-4-6-17(15)26(27,28)29/h3-11H,12H2,1-2H3,(H,30,35)(H,31,33)(H,32,34,36)
• InChIKey: WAEHNMJUMSUXSA-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 122.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.47
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?

The IUPAC name of 2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (CID 144531984) is 2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

What is the SMILES notation for 2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?

The canonical SMILES for 2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is COCc1nc2c(C(=O)Nc3nc4ccc(C)cc4o3)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1.

What is the InChIKey of 2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?

The InChIKey is WAEHNMJUMSUXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O4/c1-13-7-8-18-20(9-13)38-25(32-18)34-24(36)16-10-14(11-19-22(16)33-21(31-19)12-37-2)30-23(35)15-5-3-4-6-17(15)26(27,28)29/h3-11H,12H2,1-2H3,(H,30,35)(H,31,33)(H,32,34,36).

What are the key properties of 2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?

2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 523.47 g/mol, XLogP of 5.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 144531984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).