2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol

C43H46FN3O — CID 177094174

IUPAC2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol
SMILESCc1ccnc(-c2cc(-c3cccc4c3nc(-c3cc(F)ccc3O)n4-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C43H46FN3O/c1-26-16-17-45-36(18-26)28-19-27(20-29(21-28)41(2,3)4)34-12-11-13-37-39(34)46-40(35-25-32(44)14-15-38(35)48)47(37)33-23-30(42(5,6)7)22-31(24-33)43(8,9)10/h11-25,48H,1-10H3
InChIKeyGISGHPOVIMWPQM-UHFFFAOYSA-N
MW639.86 g/mol
LogP11.47
Rot. Bonds4

About 2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol

2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol (PubChem CID 177094174) has the molecular formula C43H46FN3O and a molecular weight of 639.86 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol
PubChem CID177094174
Molecular FormulaC43H46FN3O
Molecular Weight639.86 g/mol
Exact Mass639.36
IUPAC Name2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol
SMILESCc1ccnc(-c2cc(-c3cccc4c3nc(-c3cc(F)ccc3O)n4-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C43H46FN3O/c1-26-16-17-45-36(18-26)28-19-27(20-29(21-28)41(2,3)4)34-12-11-13-37-39(34)46-40(35-25-32(44)14-15-38(35)48)47(37)33-23-30(42(5,6)7)22-31(24-33)43(8,9)10/h11-25,48H,1-10H3
InChIKeyGISGHPOVIMWPQM-UHFFFAOYSA-N
XLogP11.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.86
LogP ≤ 511.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol 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-[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-tert-butyl-5-[4-[3,6-ditert-butyl-9-(3,5-ditert-butylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol;platinum
CID 177093952
2-[4-[3-tert-butyl-5-[4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093805
4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 177094231
2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093914
2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(3,4-dimethyl-5-phenylphenyl)benzimidazol-2-yl]phenol
CID 163682700
4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 176593352
2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)phenyl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-methylphenol
CID 177110929
2-[1-(3-tert-butyl-5-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol
CID 153478886
2-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-5-isocyanophenol
CID 177094158
2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093990

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol?
The IUPAC name of 2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol (CID 177094174) is 2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol.
What is the SMILES notation for 2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol?
The canonical SMILES for 2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol is Cc1ccnc(-c2cc(-c3cccc4c3nc(-c3cc(F)ccc3O)n4-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1.
What is the InChIKey of 2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol?
The InChIKey is GISGHPOVIMWPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46FN3O/c1-26-16-17-45-36(18-26)28-19-27(20-29(21-28)41(2,3)4)34-12-11-13-37-39(34)46-40(35-25-32(44)14-15-38(35)48)47(37)33-23-30(42(5,6)7)22-31(24-33)43(8,9)10/h11-25,48H,1-10H3.
What are the key properties of 2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol?
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol has a molecular weight of 639.86 g/mol, XLogP of 11.47, 4 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-(4-methyl-2-pyridinyl)phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-fluorophenol is sourced from PubChem (CID 177094174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).