2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol

C41H53N3OSi — CID 140931879

IUPAC2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol
SMILESCc1cnc(-c2cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)cc(C(C)(C)C)c2)cc1[Si](C)(C)C
InChIInChI=1S/C41H53N3OSi/c1-25-24-42-33(23-35(25)46(12,13)14)27-18-26(19-28(20-27)39(2,3)4)30-16-15-17-34-36(30)43-38(44(34)11)31-21-29(40(5,6)7)22-32(37(31)45)41(8,9)10/h15-24,45H,1-14H3
InChIKeyLXPSOTDIOJZHRH-UHFFFAOYSA-N
MW631.98 g/mol
LogP10.42
Rot. Bonds4

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol (PubChem CID 140931879) has the molecular formula C41H53N3OSi and a molecular weight of 631.98 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol
PubChem CID140931879
Molecular FormulaC41H53N3OSi
Molecular Weight631.98 g/mol
Exact Mass631.40
IUPAC Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol
SMILESCc1cnc(-c2cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)cc(C(C)(C)C)c2)cc1[Si](C)(C)C
InChIInChI=1S/C41H53N3OSi/c1-25-24-42-33(23-35(25)46(12,13)14)27-18-26(19-28(20-27)39(2,3)4)30-16-15-17-34-36(30)43-38(44(34)11)31-21-29(40(5,6)7)22-32(37(31)45)41(8,9)10/h15-24,45H,1-14H3
InChIKeyLXPSOTDIOJZHRH-UHFFFAOYSA-N
XLogP10.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.98
LogP ≤ 510.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140832113
2,4-ditert-butyl-6-[1-methyl-4-[3-methyl-5-(4-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140931921
2,4-ditert-butyl-6-[1-methyl-4-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140931695
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
4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
CID 140865089
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-[3-methyl-7-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864631
2,4-ditert-butyl-6-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl]phenol
CID 140865177
2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865261
2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylphenyl)-1-naphthalen-1-ylbenzimidazol-2-yl]phenol
CID 140832158
2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 176722866
2,4-ditert-butyl-6-[1-methyl-4-[2-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140832469

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol (CID 140931879) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol is Cc1cnc(-c2cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)cc(C(C)(C)C)c2)cc1[Si](C)(C)C.
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol?
The InChIKey is LXPSOTDIOJZHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H53N3OSi/c1-25-24-42-33(23-35(25)46(12,13)14)27-18-26(19-28(20-27)39(2,3)4)30-16-15-17-34-36(30)43-38(44(34)11)31-21-29(40(5,6)7)22-32(37(31)45)41(8,9)10/h15-24,45H,1-14H3.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol has a molecular weight of 631.98 g/mol, XLogP of 10.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol is sourced from PubChem (CID 140931879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).