methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate

C26H34ClN3O4Si — CID 146047789

IUPACmethyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(Cl)cn3COCC[Si](C)(C)C)cn2)cc1
InChIInChI=1S/C26H34ClN3O4Si/c1-26(2,25(31)32-3)17-34-21-10-7-19(8-11-21)22-12-9-20(15-28-22)24-29-23(27)16-30(24)18-33-13-14-35(4,5)6/h7-12,15-16H,13-14,17-18H2,1-6H3
InChIKeyLWEBTQGWHGITHM-UHFFFAOYSA-N
MW516.11 g/mol
LogP6.16
Rot. Bonds11

About methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate

methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate (PubChem CID 146047789) has the molecular formula C26H34ClN3O4Si and a molecular weight of 516.11 g/mol. Its IUPAC name is methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate
PubChem CID146047789
Molecular FormulaC26H34ClN3O4Si
Molecular Weight516.11 g/mol
Exact Mass515.20
IUPAC Namemethyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(Cl)cn3COCC[Si](C)(C)C)cn2)cc1
InChIInChI=1S/C26H34ClN3O4Si/c1-26(2,25(31)32-3)17-34-21-10-7-19(8-11-21)22-12-9-20(15-28-22)24-29-23(27)16-30(24)18-33-13-14-35(4,5)6/h7-12,15-16H,13-14,17-18H2,1-6H3
InChIKeyLWEBTQGWHGITHM-UHFFFAOYSA-N
XLogP6.16
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.11
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate (CID 146047789) is methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate is COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(Cl)cn3COCC[Si](C)(C)C)cn2)cc1.
What is the InChIKey of methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate?
The InChIKey is LWEBTQGWHGITHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O4Si/c1-26(2,25(31)32-3)17-34-21-10-7-19(8-11-21)22-12-9-20(15-28-22)24-29-23(27)16-30(24)18-33-13-14-35(4,5)6/h7-12,15-16H,13-14,17-18H2,1-6H3.
What are the key properties of methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate?
methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate has a molecular weight of 516.11 g/mol, XLogP of 6.16, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[5-[4-chloro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 146047789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).