2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole

C26H16F2N4O — CID 71454699

IUPAC2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole
SMILESFc1ccc(-c2nc3ccc(Oc4ccc5nc(-c6ccc(F)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C26H16F2N4O/c27-17-5-1-15(2-6-17)25-29-21-11-9-19(13-23(21)31-25)33-20-10-12-22-24(14-20)32-26(30-22)16-3-7-18(28)8-4-16/h1-14H,(H,29,31)(H,30,32)
InChIKeyMSULVNLKCLOYLF-UHFFFAOYSA-N
MW438.44 g/mol
LogP6.84
Rot. Bonds4

About 2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole

2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole (PubChem CID 71454699) has the molecular formula C26H16F2N4O and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole
PubChem CID71454699
Molecular FormulaC26H16F2N4O
Molecular Weight438.44 g/mol
Exact Mass438.13
IUPAC Name2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole
SMILESFc1ccc(-c2nc3ccc(Oc4ccc5nc(-c6ccc(F)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C26H16F2N4O/c27-17-5-1-15(2-6-17)25-29-21-11-9-19(13-23(21)31-25)33-20-10-12-22-24(14-20)32-26(30-22)16-3-7-18(28)8-4-16/h1-14H,(H,29,31)(H,30,32)
InChIKeyMSULVNLKCLOYLF-UHFFFAOYSA-N
XLogP6.84
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole?
The IUPAC name of 2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole (CID 71454699) is 2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole?
The canonical SMILES for 2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole is Fc1ccc(-c2nc3ccc(Oc4ccc5nc(-c6ccc(F)cc6)[nH]c5c4)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole?
The InChIKey is MSULVNLKCLOYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2N4O/c27-17-5-1-15(2-6-17)25-29-21-11-9-19(13-23(21)31-25)33-20-10-12-22-24(14-20)32-26(30-22)16-3-7-18(28)8-4-16/h1-14H,(H,29,31)(H,30,32).
What are the key properties of 2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole?
2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole has a molecular weight of 438.44 g/mol, XLogP of 6.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole is sourced from PubChem (CID 71454699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).