tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane

C24H26N2O2Si — CID 57431359

IUPACtert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane
SMILESCOc1cc2nc[nH]c2cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H26N2O2Si/c1-24(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-23-16-21-20(25-17-26-21)15-22(23)27-4/h5-17H,1-4H3,(H,25,26)
InChIKeyLXNAYIWUWQPJJJ-UHFFFAOYSA-N
MW402.57 g/mol
LogP4.51
Rot. Bonds5

About tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane

tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane (PubChem CID 57431359) has the molecular formula C24H26N2O2Si and a molecular weight of 402.57 g/mol. Its IUPAC name is tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane
PubChem CID57431359
Molecular FormulaC24H26N2O2Si
Molecular Weight402.57 g/mol
Exact Mass402.18
IUPAC Nametert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane
SMILESCOc1cc2nc[nH]c2cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H26N2O2Si/c1-24(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-23-16-21-20(25-17-26-21)15-22(23)27-4/h5-17H,1-4H3,(H,25,26)
InChIKeyLXNAYIWUWQPJJJ-UHFFFAOYSA-N
XLogP4.51
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane (CID 57431359) is tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane is COc1cc2nc[nH]c2cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane?
The InChIKey is LXNAYIWUWQPJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2Si/c1-24(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-23-16-21-20(25-17-26-21)15-22(23)27-4/h5-17H,1-4H3,(H,25,26).
What are the key properties of tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane?
tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane has a molecular weight of 402.57 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane is sourced from PubChem (CID 57431359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).