benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate

C34H40F3N3O5Si — CID 67973036

IUPACbenzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate
SMILESCOc1cc(OCC(C)(C)C(=O)OCc2ccccc2)ccc1-c1ccc(-c2nc(C(F)(F)F)c(COCC[Si](C)(C)C)[nH]2)cn1
InChIInChI=1S/C34H40F3N3O5Si/c1-33(2,32(41)44-20-23-10-8-7-9-11-23)22-45-25-13-14-26(29(18-25)42-3)27-15-12-24(19-38-27)31-39-28(30(40-31)34(35,36)37)21-43-16-17-46(4,5)6/h7-15,18-19H,16-17,20-22H2,1-6H3,(H,39,40)
InChIKeySLCCRSXJZNDMGX-UHFFFAOYSA-N
MW655.79 g/mol
LogP8.17
Rot. Bonds14

About benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate

benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate (PubChem CID 67973036) has the molecular formula C34H40F3N3O5Si and a molecular weight of 655.79 g/mol. Its IUPAC name is benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namebenzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate
PubChem CID67973036
Molecular FormulaC34H40F3N3O5Si
Molecular Weight655.79 g/mol
Exact Mass655.27
IUPAC Namebenzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate
SMILESCOc1cc(OCC(C)(C)C(=O)OCc2ccccc2)ccc1-c1ccc(-c2nc(C(F)(F)F)c(COCC[Si](C)(C)C)[nH]2)cn1
InChIInChI=1S/C34H40F3N3O5Si/c1-33(2,32(41)44-20-23-10-8-7-9-11-23)22-45-25-13-14-26(29(18-25)42-3)27-15-12-24(19-38-27)31-39-28(30(40-31)34(35,36)37)21-43-16-17-46(4,5)6/h7-15,18-19H,16-17,20-22H2,1-6H3,(H,39,40)
InChIKeySLCCRSXJZNDMGX-UHFFFAOYSA-N
XLogP8.17
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.79
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate?
The IUPAC name of benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate (CID 67973036) is benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate.
What is the SMILES notation for benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate?
The canonical SMILES for benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate is COc1cc(OCC(C)(C)C(=O)OCc2ccccc2)ccc1-c1ccc(-c2nc(C(F)(F)F)c(COCC[Si](C)(C)C)[nH]2)cn1.
What is the InChIKey of benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate?
The InChIKey is SLCCRSXJZNDMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40F3N3O5Si/c1-33(2,32(41)44-20-23-10-8-7-9-11-23)22-45-25-13-14-26(29(18-25)42-3)27-15-12-24(19-38-27)31-39-28(30(40-31)34(35,36)37)21-43-16-17-46(4,5)6/h7-15,18-19H,16-17,20-22H2,1-6H3,(H,39,40).
What are the key properties of benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate?
benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate has a molecular weight of 655.79 g/mol, XLogP of 8.17, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[3-methoxy-4-[5-[4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 67973036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).