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

C37H38N4OSi — CID 140865089

IUPAC4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
SMILESCn1c(-c2ccncc2O)nc2c(-c3cc(-c4cc(-c5ccccc5)c([Si](C)(C)C)cn4)cc(C(C)(C)C)c3)cccc21
InChIInChI=1S/C37H38N4OSi/c1-37(2,3)27-19-25(28-14-11-15-32-35(28)40-36(41(32)4)29-16-17-38-22-33(29)42)18-26(20-27)31-21-30(24-12-9-8-10-13-24)34(23-39-31)43(5,6)7/h8-23,42H,1-7H3
InChIKeyRSGQAWIHPDIXRV-UHFFFAOYSA-N
MW582.82 g/mol
LogP8.58
Rot. Bonds5

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

4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol (PubChem CID 140865089) has the molecular formula C37H38N4OSi and a molecular weight of 582.82 g/mol. Its IUPAC name is 4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
PubChem CID140865089
Molecular FormulaC37H38N4OSi
Molecular Weight582.82 g/mol
Exact Mass582.28
IUPAC Name4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
SMILESCn1c(-c2ccncc2O)nc2c(-c3cc(-c4cc(-c5ccccc5)c([Si](C)(C)C)cn4)cc(C(C)(C)C)c3)cccc21
InChIInChI=1S/C37H38N4OSi/c1-37(2,3)27-19-25(28-14-11-15-32-35(28)40-36(41(32)4)29-16-17-38-22-33(29)42)18-26(20-27)31-21-30(24-12-9-8-10-13-24)34(23-39-31)43(5,6)7/h8-23,42H,1-7H3
InChIKeyRSGQAWIHPDIXRV-UHFFFAOYSA-N
XLogP8.58
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.82
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
CID 140864701
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-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 140864357
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol
CID 140931879
4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol
CID 140864551
2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140865435
5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol
CID 140864201
3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol
CID 140864433
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
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-[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-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol?
The IUPAC name of 4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol (CID 140865089) is 4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol.
What is the SMILES notation for 4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol?
The canonical SMILES for 4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol is Cn1c(-c2ccncc2O)nc2c(-c3cc(-c4cc(-c5ccccc5)c([Si](C)(C)C)cn4)cc(C(C)(C)C)c3)cccc21.
What is the InChIKey of 4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol?
The InChIKey is RSGQAWIHPDIXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N4OSi/c1-37(2,3)27-19-25(28-14-11-15-32-35(28)40-36(41(32)4)29-16-17-38-22-33(29)42)18-26(20-27)31-21-30(24-12-9-8-10-13-24)34(23-39-31)43(5,6)7/h8-23,42H,1-7H3.
What are the key properties of 4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol?
4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol has a molecular weight of 582.82 g/mol, XLogP of 8.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol is sourced from PubChem (CID 140865089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).