2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol

C30H20N4O — CID 164823466

IUPAC2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol
SMILESOc1ccccc1-c1cccc(-c2cccc3c2nc2n(-c4ccccn4)c4ccccc4n32)c1
InChIInChI=1S/C30H20N4O/c35-27-16-4-1-11-22(27)20-9-7-10-21(19-20)23-12-8-15-26-29(23)32-30-33(26)24-13-2-3-14-25(24)34(30)28-17-5-6-18-31-28/h1-19,35H
InChIKeyHRNQBQKZGTXUFN-UHFFFAOYSA-N
MW452.52 g/mol
LogP6.87
Rot. Bonds3

About 2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol

2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol (PubChem CID 164823466) has the molecular formula C30H20N4O and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol.

Molecular Properties

Compound Name2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol
PubChem CID164823466
Molecular FormulaC30H20N4O
Molecular Weight452.52 g/mol
Exact Mass452.16
IUPAC Name2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol
SMILESOc1ccccc1-c1cccc(-c2cccc3c2nc2n(-c4ccccn4)c4ccccc4n32)c1
InChIInChI=1S/C30H20N4O/c35-27-16-4-1-11-22(27)20-9-7-10-21(19-20)23-12-8-15-26-29(23)32-30-33(26)24-13-2-3-14-25(24)34(30)28-17-5-6-18-31-28/h1-19,35H
InChIKeyHRNQBQKZGTXUFN-UHFFFAOYSA-N
XLogP6.87
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-6-(3-pyridin-2-ylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 164845252
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(6-phenylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]imidazol-2-yl]phenol
CID 168721298
5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 171424937
2-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036
4-phenyl-6-pyridin-2-ylindolo[2,3-b]quinoline
CID 157124966
2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol
CID 140831982
2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol
CID 164823525
4-methyl-2-phenyl-1-pyridin-2-ylbenzimidazole
CID 58121833
4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 140906004
4-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 140864357
2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140864165
2-[4-(3-pyridin-2-ylphenyl)-1-(2,2'-spirobi[1,3-dihydroindene]-5-yl)benzimidazol-2-yl]phenol
CID 164727607

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol?
The IUPAC name of 2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol (CID 164823466) is 2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol.
What is the SMILES notation for 2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol?
The canonical SMILES for 2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol is Oc1ccccc1-c1cccc(-c2cccc3c2nc2n(-c4ccccn4)c4ccccc4n32)c1.
What is the InChIKey of 2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol?
The InChIKey is HRNQBQKZGTXUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O/c35-27-16-4-1-11-22(27)20-9-7-10-21(19-20)23-12-8-15-26-29(23)32-30-33(26)24-13-2-3-14-25(24)34(30)28-17-5-6-18-31-28/h1-19,35H.
What are the key properties of 2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol?
2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol has a molecular weight of 452.52 g/mol, XLogP of 6.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol is sourced from PubChem (CID 164823466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).