2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol

C40H26N8O2 — CID 139797671

IUPAC2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
SMILESOc1c(-c2nc3ccccc3[nH]2)cc(-c2cc(-c3nc4ccccc4[nH]3)c(O)c(-c3nc4ccccc4[nH]3)c2)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C40H26N8O2/c49-35-23(37-41-27-9-1-2-10-28(27)42-37)17-21(18-24(35)38-43-29-11-3-4-12-30(29)44-38)22-19-25(39-45-31-13-5-6-14-32(31)46-39)36(50)26(20-22)40-47-33-15-7-8-16-34(33)48-40/h1-20,49-50H,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
InChIKeyFTSYXHJSUVXVMD-UHFFFAOYSA-N
MW650.70 g/mol
LogP8.94
Rot. Bonds5

About 2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol

2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol (PubChem CID 139797671) has the molecular formula C40H26N8O2 and a molecular weight of 650.70 g/mol. Its IUPAC name is 2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol.

Molecular Properties

Compound Name2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
PubChem CID139797671
Molecular FormulaC40H26N8O2
Molecular Weight650.70 g/mol
Exact Mass650.22
IUPAC Name2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
SMILESOc1c(-c2nc3ccccc3[nH]2)cc(-c2cc(-c3nc4ccccc4[nH]3)c(O)c(-c3nc4ccccc4[nH]3)c2)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C40H26N8O2/c49-35-23(37-41-27-9-1-2-10-28(27)42-37)17-21(18-24(35)38-43-29-11-3-4-12-30(29)44-38)22-19-25(39-45-31-13-5-6-14-32(31)46-39)36(50)26(20-22)40-47-33-15-7-8-16-34(33)48-40/h1-20,49-50H,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
InChIKeyFTSYXHJSUVXVMD-UHFFFAOYSA-N
XLogP8.94
TPSA155.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500650.70
LogP ≤ 58.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
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CID 12522580
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2-phenanthren-9-yl-1H-benzimidazole
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6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol
CID 168555762
2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol
CID 147978461
azane;2-phenyl-1H-benzimidazole
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2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol?
The IUPAC name of 2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol (CID 139797671) is 2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol.
What is the SMILES notation for 2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol?
The canonical SMILES for 2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol is Oc1c(-c2nc3ccccc3[nH]2)cc(-c2cc(-c3nc4ccccc4[nH]3)c(O)c(-c3nc4ccccc4[nH]3)c2)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol?
The InChIKey is FTSYXHJSUVXVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N8O2/c49-35-23(37-41-27-9-1-2-10-28(27)42-37)17-21(18-24(35)38-43-29-11-3-4-12-30(29)44-38)22-19-25(39-45-31-13-5-6-14-32(31)46-39)36(50)26(20-22)40-47-33-15-7-8-16-34(33)48-40/h1-20,49-50H,(H,41,42)(H,43,44)(H,45,46)(H,47,48).
What are the key properties of 2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol?
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol has a molecular weight of 650.70 g/mol, XLogP of 8.94, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol is sourced from PubChem (CID 139797671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).