2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole

C26H19F6N5O2 — CID 135245071

About 2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole

2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole (PubChem CID 135245071) has the molecular formula C26H19F6N5O2 and a molecular weight of 547.46 g/mol. Its IUPAC name is 2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole
• PubChem CID: 135245071
• Molecular Formula: C26H19F6N5O2
• Molecular Weight: 547.46 g/mol
• Exact Mass: 547.14
• IUPAC Name: 2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole
• SMILES: CC1c2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc2OC1C1Nc2ccc(C(F)(F)F)cc2N1
• InChI: InChI=1S/C26H19F6N5O2/c1-12-16-9-14(38-15-6-7-33-19(10-15)23-34-11-21(37-23)26(30,31)32)3-5-20(16)39-22(12)24-35-17-4-2-13(25(27,28)29)8-18(17)36-24/h2-12,22,24,35-36H,1H3,(H,34,37)
• InChIKey: AXOIBHSSXAVRFC-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 84.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.46
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole?

The IUPAC name of 2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole (CID 135245071) is 2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole.

What is the SMILES notation for 2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole?

The canonical SMILES for 2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole is CC1c2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc2OC1C1Nc2ccc(C(F)(F)F)cc2N1.

What is the InChIKey of 2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole?

The InChIKey is AXOIBHSSXAVRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F6N5O2/c1-12-16-9-14(38-15-6-7-33-19(10-15)23-34-11-21(37-23)26(30,31)32)3-5-20(16)39-22(12)24-35-17-4-2-13(25(27,28)29)8-18(17)36-24/h2-12,22,24,35-36H,1H3,(H,34,37).

What are the key properties of 2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole?

2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole has a molecular weight of 547.46 g/mol, XLogP of 7.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-2-yl]-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole is sourced from PubChem (CID 135245071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).