[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol

C26H31N3O5SSi — CID 67111973

IUPAC[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol
SMILESC[Si](C)(C)CCOCn1c(-c2ccccn2)nc2cc(CO)c(Oc3ccc(S(C)(=O)=O)cc3)cc21
InChIInChI=1S/C26H31N3O5SSi/c1-35(31,32)21-10-8-20(9-11-21)34-25-16-24-23(15-19(25)17-30)28-26(22-7-5-6-12-27-22)29(24)18-33-13-14-36(2,3)4/h5-12,15-16,30H,13-14,17-18H2,1-4H3
InChIKeyYXEWCISLGXJMCD-UHFFFAOYSA-N
MW525.70 g/mol
LogP5.10
Rot. Bonds10

About [6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol

[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol (PubChem CID 67111973) has the molecular formula C26H31N3O5SSi and a molecular weight of 525.70 g/mol. Its IUPAC name is [6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol
PubChem CID67111973
Molecular FormulaC26H31N3O5SSi
Molecular Weight525.70 g/mol
Exact Mass525.18
IUPAC Name[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol
SMILESC[Si](C)(C)CCOCn1c(-c2ccccn2)nc2cc(CO)c(Oc3ccc(S(C)(=O)=O)cc3)cc21
InChIInChI=1S/C26H31N3O5SSi/c1-35(31,32)21-10-8-20(9-11-21)34-25-16-24-23(15-19(25)17-30)28-26(22-7-5-6-12-27-22)29(24)18-33-13-14-36(2,3)4/h5-12,15-16,30H,13-14,17-18H2,1-4H3
InChIKeyYXEWCISLGXJMCD-UHFFFAOYSA-N
XLogP5.10
TPSA103.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.70
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-ethenyl-6-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 57433533
2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 57433530
N-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanesulfonamide
CID 67110964
[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-(4-fluorophenyl)methanol
CID 57433569
[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-(2-fluorophenyl)methanol
CID 57433571
[6-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol
CID 67110570
2-[[5-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-6-(2H-tetrazol-5-ylmethyl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 67110370
[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-(4-fluorophenyl)methanol
CID 57433568
4-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbaldehyde
CID 150341510
methyl 6-(4-formylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 87272387
6-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazole-4-carbaldehyde
CID 87272290
2-[3-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-5-yl]oxybenzonitrile
CID 141121777

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol?
The IUPAC name of [6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol (CID 67111973) is [6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol.
What is the SMILES notation for [6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol?
The canonical SMILES for [6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol is C[Si](C)(C)CCOCn1c(-c2ccccn2)nc2cc(CO)c(Oc3ccc(S(C)(=O)=O)cc3)cc21.
What is the InChIKey of [6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol?
The InChIKey is YXEWCISLGXJMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5SSi/c1-35(31,32)21-10-8-20(9-11-21)34-25-16-24-23(15-19(25)17-30)28-26(22-7-5-6-12-27-22)29(24)18-33-13-14-36(2,3)4/h5-12,15-16,30H,13-14,17-18H2,1-4H3.
What are the key properties of [6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol?
[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol has a molecular weight of 525.70 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methanol is sourced from PubChem (CID 67111973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).