4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol

C38H38N4O — CID 140865247

IUPAC4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
SMILESCn1c(-c2nc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cccc(-c4ccc(-c5ccccc5)cn4)c3)cccc21
InChIInChI=1S/C38H38N4O/c1-37(2,3)29-22-32(38(4,5)6)40-34(35(29)43)36-41-33-28(17-12-18-31(33)42(36)7)25-15-11-16-26(21-25)30-20-19-27(23-39-30)24-13-9-8-10-14-24/h8-23,43H,1-7H3
InChIKeyVCGDBQXVZZEDAT-UHFFFAOYSA-N
MW566.75 g/mol
LogP9.33
Rot. Bonds4

About 4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol

4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol (PubChem CID 140865247) has the molecular formula C38H38N4O and a molecular weight of 566.75 g/mol. Its IUPAC name is 4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
PubChem CID140865247
Molecular FormulaC38H38N4O
Molecular Weight566.75 g/mol
Exact Mass566.30
IUPAC Name4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
SMILESCn1c(-c2nc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cccc(-c4ccc(-c5ccccc5)cn4)c3)cccc21
InChIInChI=1S/C38H38N4O/c1-37(2,3)29-22-32(38(4,5)6)40-34(35(29)43)36-41-33-28(17-12-18-31(33)42(36)7)25-15-11-16-26(21-25)30-20-19-27(23-39-30)24-13-9-8-10-14-24/h8-23,43H,1-7H3
InChIKeyVCGDBQXVZZEDAT-UHFFFAOYSA-N
XLogP9.33
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 59.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol with MolForge

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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
2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865261
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
3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 140864801
3-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-4-one
CID 140865419
2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140832113
4,6-ditert-butyl-2-[1-phenyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-3-ol;4,6-ditert-butyl-2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-3-ol;4,6-ditert-butyl-2-[1-phenyl-4-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-3-ol;4,6-ditert-butyl-2-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum
CID 158183461
2-tert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865219
5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol
CID 140864201
2,4-ditert-butyl-6-[1-methyl-4-[3-(2-phenylpropan-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164743078
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-[1-methyl-4-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140931695

Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol?
The IUPAC name of 4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol (CID 140865247) is 4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol.
What is the SMILES notation for 4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol?
The canonical SMILES for 4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol is Cn1c(-c2nc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cccc(-c4ccc(-c5ccccc5)cn4)c3)cccc21.
What is the InChIKey of 4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol?
The InChIKey is VCGDBQXVZZEDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N4O/c1-37(2,3)29-22-32(38(4,5)6)40-34(35(29)43)36-41-33-28(17-12-18-31(33)42(36)7)25-15-11-16-26(21-25)30-20-19-27(23-39-30)24-13-9-8-10-14-24/h8-23,43H,1-7H3.
What are the key properties of 4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol?
4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol has a molecular weight of 566.75 g/mol, XLogP of 9.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-2-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol is sourced from PubChem (CID 140865247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).