2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol

C39H38N2O — CID 176593542

IUPAC2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nc3ccc(-c4ccccc4)cc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C39H38N2O/c1-38(2,3)29-24-31(36(42)32(25-29)39(4,5)6)37-40-33-22-21-28(26-15-9-7-10-16-26)23-35(33)41(37)34-20-14-13-19-30(34)27-17-11-8-12-18-27/h7-25,42H,1-6H3
InChIKeyXKHZKIRMUPILDP-UHFFFAOYSA-N
MW550.75 g/mol
LogP10.33
Rot. Bonds4

About 2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol (PubChem CID 176593542) has the molecular formula C39H38N2O and a molecular weight of 550.75 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
PubChem CID176593542
Molecular FormulaC39H38N2O
Molecular Weight550.75 g/mol
Exact Mass550.30
IUPAC Name2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nc3ccc(-c4ccccc4)cc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C39H38N2O/c1-38(2,3)29-24-31(36(42)32(25-29)39(4,5)6)37-40-33-22-21-28(26-15-9-7-10-16-26)23-35(33)41(37)34-20-14-13-19-30(34)27-17-11-8-12-18-27/h7-25,42H,1-6H3
InChIKeyXKHZKIRMUPILDP-UHFFFAOYSA-N
XLogP10.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.75
LogP ≤ 510.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140833221
2,4-ditert-butyl-6-[4-(3-tert-butyl-5-pyridin-2-ylphenyl)-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864573
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 167332166
2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-(4-propan-2-ylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 167332447
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol
CID 140833244
2,4-ditert-butyl-6-[3-(2-phenylphenyl)-7-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865535
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153476868
2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 167332372
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 167355310
2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153477910
2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-isoquinolin-1-ylphenyl)benzimidazol-2-yl]phenol
CID 140831896
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-fluorophenyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 164518281

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol (CID 176593542) is 2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol is CC(C)(C)c1cc(-c2nc3ccc(-c4ccccc4)cc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol?
The InChIKey is XKHZKIRMUPILDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38N2O/c1-38(2,3)29-24-31(36(42)32(25-29)39(4,5)6)37-40-33-22-21-28(26-15-9-7-10-16-26)23-35(33)41(37)34-20-14-13-19-30(34)27-17-11-8-12-18-27/h7-25,42H,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 550.75 g/mol, XLogP of 10.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[6-phenyl-1-(2-phenylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 176593542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).