2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole

C16H8F6N4O — CID 1120305

IUPAC2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole
SMILESFC(F)(F)c1nc2ccc(Oc3ccc4nc(C(F)(F)F)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C16H8F6N4O/c17-15(18,19)13-23-9-3-1-7(5-11(9)25-13)27-8-2-4-10-12(6-8)26-14(24-10)16(20,21)22/h1-6H,(H,23,25)(H,24,26)
InChIKeyDPSFDFCZVXTRAF-UHFFFAOYSA-N
MW386.26 g/mol
LogP5.27
Rot. Bonds2

About 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole

2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole (PubChem CID 1120305) has the molecular formula C16H8F6N4O and a molecular weight of 386.26 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole
PubChem CID1120305
Molecular FormulaC16H8F6N4O
Molecular Weight386.26 g/mol
Exact Mass386.06
IUPAC Name2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole
SMILESFC(F)(F)c1nc2ccc(Oc3ccc4nc(C(F)(F)F)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C16H8F6N4O/c17-15(18,19)13-23-9-3-1-7(5-11(9)25-13)27-8-2-4-10-12(6-8)26-14(24-10)16(20,21)22/h1-6H,(H,23,25)(H,24,26)
InChIKeyDPSFDFCZVXTRAF-UHFFFAOYSA-N
XLogP5.27
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.26
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole?
The IUPAC name of 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole (CID 1120305) is 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole.
What is the SMILES notation for 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole?
The canonical SMILES for 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole is FC(F)(F)c1nc2ccc(Oc3ccc4nc(C(F)(F)F)[nH]c4c3)cc2[nH]1.
What is the InChIKey of 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole?
The InChIKey is DPSFDFCZVXTRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6N4O/c17-15(18,19)13-23-9-3-1-7(5-11(9)25-13)27-8-2-4-10-12(6-8)26-14(24-10)16(20,21)22/h1-6H,(H,23,25)(H,24,26).
What are the key properties of 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole?
2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole has a molecular weight of 386.26 g/mol, XLogP of 5.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole is sourced from PubChem (CID 1120305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).