2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid

C25H26N2O3Si — CID 70132244

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid
SMILESCC(C)(C)[Si](OCc1nc2c(C(=O)O)cccc2[nH]1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O3Si/c1-25(2,3)31(18-11-6-4-7-12-18,19-13-8-5-9-14-19)30-17-22-26-21-16-10-15-20(24(28)29)23(21)27-22/h4-16H,17H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyBMUBHWVXTLBMMD-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.34
Rot. Bonds6

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 70132244) has the molecular formula C25H26N2O3Si and a molecular weight of 430.58 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid
PubChem CID70132244
Molecular FormulaC25H26N2O3Si
Molecular Weight430.58 g/mol
Exact Mass430.17
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid
SMILESCC(C)(C)[Si](OCc1nc2c(C(=O)O)cccc2[nH]1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O3Si/c1-25(2,3)31(18-11-6-4-7-12-18,19-13-8-5-9-14-19)30-17-22-26-21-16-10-15-20(24(28)29)23(21)27-22/h4-16H,17H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyBMUBHWVXTLBMMD-UHFFFAOYSA-N
XLogP4.34
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.34
H-Bond Donors ≤ 52
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 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid (CID 70132244) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid is CC(C)(C)[Si](OCc1nc2c(C(=O)O)cccc2[nH]1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is BMUBHWVXTLBMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3Si/c1-25(2,3)31(18-11-6-4-7-12-18,19-13-8-5-9-14-19)30-17-22-26-21-16-10-15-20(24(28)29)23(21)27-22/h4-16H,17H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 430.58 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 70132244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).