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

C26H18N4O — CID 7303393

IUPAC2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole
SMILESc1ccc(-c2nc3ccc(Oc4ccc5nc(-c6ccccc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C26H18N4O/c1-3-7-17(8-4-1)25-27-21-13-11-19(15-23(21)29-25)31-20-12-14-22-24(16-20)30-26(28-22)18-9-5-2-6-10-18/h1-16H,(H,27,29)(H,28,30)
InChIKeyWKXRIOWEJGUTQK-UHFFFAOYSA-N
MW402.46 g/mol
LogP6.57
Rot. Bonds4

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

2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole (PubChem CID 7303393) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole.

Molecular Properties

Compound Name2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole
PubChem CID7303393
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC Name2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole
SMILESc1ccc(-c2nc3ccc(Oc4ccc5nc(-c6ccccc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C26H18N4O/c1-3-7-17(8-4-1)25-27-21-13-11-19(15-23(21)29-25)31-20-12-14-22-24(16-20)30-26(28-22)18-9-5-2-6-10-18/h1-16H,(H,27,29)(H,28,30)
InChIKeyWKXRIOWEJGUTQK-UHFFFAOYSA-N
XLogP6.57
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole?
The IUPAC name of 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole (CID 7303393) is 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole.
What is the SMILES notation for 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole?
The canonical SMILES for 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole is c1ccc(-c2nc3ccc(Oc4ccc5nc(-c6ccccc6)[nH]c5c4)cc3[nH]2)cc1.
What is the InChIKey of 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole?
The InChIKey is WKXRIOWEJGUTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O/c1-3-7-17(8-4-1)25-27-21-13-11-19(15-23(21)29-25)31-20-12-14-22-24(16-20)30-26(28-22)18-9-5-2-6-10-18/h1-16H,(H,27,29)(H,28,30).
What are the key properties of 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole?
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole has a molecular weight of 402.46 g/mol, XLogP of 6.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)oxy]-1H-benzimidazole is sourced from PubChem (CID 7303393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).