2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol

C36H41N3O — CID 137086333

IUPAC2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol
SMILESCCCCC(CC)Cn1c(-c2ccccc2O)nc2c(-c3cc(-c4ccccn4)cc(C(C)(C)C)c3)cccc21
InChIInChI=1S/C36H41N3O/c1-6-8-14-25(7-2)24-39-32-18-13-16-29(34(32)38-35(39)30-15-9-10-19-33(30)40)26-21-27(31-17-11-12-20-37-31)23-28(22-26)36(3,4)5/h9-13,15-23,25,40H,6-8,14,24H2,1-5H3
InChIKeyUQQDISLHQLFSIX-UHFFFAOYSA-N
MW531.74 g/mol
LogP9.65
Rot. Bonds9

About 2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol

2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol (PubChem CID 137086333) has the molecular formula C36H41N3O and a molecular weight of 531.74 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol
PubChem CID137086333
Molecular FormulaC36H41N3O
Molecular Weight531.74 g/mol
Exact Mass531.32
IUPAC Name2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol
SMILESCCCCC(CC)Cn1c(-c2ccccc2O)nc2c(-c3cc(-c4ccccn4)cc(C(C)(C)C)c3)cccc21
InChIInChI=1S/C36H41N3O/c1-6-8-14-25(7-2)24-39-32-18-13-16-29(34(32)38-35(39)30-15-9-10-19-33(30)40)26-21-27(31-17-11-12-20-37-31)23-28(22-26)36(3,4)5/h9-13,15-23,25,40H,6-8,14,24H2,1-5H3
InChIKeyUQQDISLHQLFSIX-UHFFFAOYSA-N
XLogP9.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.74
LogP ≤ 59.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
CID 140864701
2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol
CID 140831982
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142
2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093698
2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 140833081
2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 140868578
4-tert-butyl-2-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[4,5-b]pyridin-2-yl]phenol
CID 140864095
3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162783714
2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 153481572
4-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 140864357
3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol
CID 162783287
2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(3,4-dimethyl-5-phenylphenyl)benzimidazol-2-yl]phenol
CID 163682700

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol (CID 137086333) is 2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol is CCCCC(CC)Cn1c(-c2ccccc2O)nc2c(-c3cc(-c4ccccn4)cc(C(C)(C)C)c3)cccc21.
What is the InChIKey of 2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol?
The InChIKey is UQQDISLHQLFSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N3O/c1-6-8-14-25(7-2)24-39-32-18-13-16-29(34(32)38-35(39)30-15-9-10-19-33(30)40)26-21-27(31-17-11-12-20-37-31)23-28(22-26)36(3,4)5/h9-13,15-23,25,40H,6-8,14,24H2,1-5H3.
What are the key properties of 2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol?
2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol has a molecular weight of 531.74 g/mol, XLogP of 9.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-ethylhexyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 137086333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).