3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol

C40H34N4O — CID 140865504

IUPAC3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol
SMILESCc1cnc(-c2cccc(-c3cccc4c3nc(-c3cncc(C(C)(C)C)c3O)n4-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C40H34N4O/c1-26-23-42-35(22-32(26)27-13-7-5-8-14-27)29-16-11-15-28(21-29)31-19-12-20-36-37(31)43-39(44(36)30-17-9-6-10-18-30)33-24-41-25-34(38(33)45)40(2,3)4/h5-25H,1-4H3,(H,41,45)
InChIKeyFWOSPAJRDLLHDI-UHFFFAOYSA-N
MW586.74 g/mol
LogP9.80
Rot. Bonds5

About 3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol

3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol (PubChem CID 140865504) has the molecular formula C40H34N4O and a molecular weight of 586.74 g/mol. Its IUPAC name is 3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol.

Molecular Properties

Compound Name3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol
PubChem CID140865504
Molecular FormulaC40H34N4O
Molecular Weight586.74 g/mol
Exact Mass586.27
IUPAC Name3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol
SMILESCc1cnc(-c2cccc(-c3cccc4c3nc(-c3cncc(C(C)(C)C)c3O)n4-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C40H34N4O/c1-26-23-42-35(22-32(26)27-13-7-5-8-14-27)29-16-11-15-28(21-29)31-19-12-20-36-37(31)43-39(44(36)30-17-9-6-10-18-30)33-24-41-25-34(38(33)45)40(2,3)4/h5-25H,1-4H3,(H,41,45)
InChIKeyFWOSPAJRDLLHDI-UHFFFAOYSA-N
XLogP9.80
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 59.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
CID 140864359
5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
CID 140865377
3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
CID 140865175
6-methyl-4-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
CID 140864229
2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol
CID 140864343
4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140864477
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162784151
2,4-ditert-butyl-6-[1-phenyl-4-[3-(2-phenylpropan-2-yl)-5-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162784155
5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol
CID 140864201
2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865255
2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864711
2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865149

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol?
The IUPAC name of 3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol (CID 140865504) is 3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol.
What is the SMILES notation for 3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol?
The canonical SMILES for 3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol is Cc1cnc(-c2cccc(-c3cccc4c3nc(-c3cncc(C(C)(C)C)c3O)n4-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol?
The InChIKey is FWOSPAJRDLLHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N4O/c1-26-23-42-35(22-32(26)27-13-7-5-8-14-27)29-16-11-15-28(21-29)31-19-12-20-36-37(31)43-39(44(36)30-17-9-6-10-18-30)33-24-41-25-34(38(33)45)40(2,3)4/h5-25H,1-4H3,(H,41,45).
What are the key properties of 3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol?
3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol has a molecular weight of 586.74 g/mol, XLogP of 9.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol is sourced from PubChem (CID 140865504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).