benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate

C114H142F10N12O12Si4 — CID 157197590

IUPACbenzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate
SMILESC[Si](C)(C)CCOCn1c(-c2cc(F)cc(F)c2)cnc1C1CCN(C(=O)OCc2ccccc2)CC1.C[Si](C)(C)CCOCn1c(-c2cccc(C(F)(F)F)c2)cnc1C1CCN(C(=O)OCc2ccccc2)CC1.C[Si](C)(C)CCOCn1cc(-c2cc(F)cc(F)c2)nc1C1CCN(C(=O)OCc2ccccc2)CC1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/2C29H36F3N3O3Si.2C28H35F2N3O3Si/c1-39(2,3)17-16-37-21-35-19-26(24-10-7-11-25(18-24)29(30,31)32)33-27(35)23-12-14-34(15-13-23)28(36)38-20-22-8-5-4-6-9-22;1-39(2,3)17-16-37-21-35-26(24-10-7-11-25(18-24)29(30,31)32)19-33-27(35)23-12-14-34(15-13-23)28(36)38-20-22-8-5-4-6-9-22;1-37(2,3)14-13-35-20-33-18-26(23-15-24(29)17-25(30)16-23)31-27(33)22-9-11-32(12-10-22)28(34)36-19-21-7-5-4-6-8-21;1-37(2,3)14-13-35-20-33-26(23-15-24(29)17-25(30)16-23)18-31-27(33)22-9-11-32(12-10-22)28(34)36-19-21-7-5-4-6-8-21/h2*4-11,18-19,23H,12-17,20-21H2,1-3H3;2*4-8,15-18,22H,9-14,19-20H2,1-3H3
InChIKeyAQKSYGXBGFKDBV-UHFFFAOYSA-N
MW2174.79 g/mol
LogP28.11
Rot. Bonds36

About benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate

benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 157197590) has the molecular formula C114H142F10N12O12Si4 and a molecular weight of 2174.79 g/mol. Its IUPAC name is benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate
PubChem CID157197590
Molecular FormulaC114H142F10N12O12Si4
Molecular Weight2174.79 g/mol
Exact Mass2172.98
IUPAC Namebenzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate
SMILESC[Si](C)(C)CCOCn1c(-c2cc(F)cc(F)c2)cnc1C1CCN(C(=O)OCc2ccccc2)CC1.C[Si](C)(C)CCOCn1c(-c2cccc(C(F)(F)F)c2)cnc1C1CCN(C(=O)OCc2ccccc2)CC1.C[Si](C)(C)CCOCn1cc(-c2cc(F)cc(F)c2)nc1C1CCN(C(=O)OCc2ccccc2)CC1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/2C29H36F3N3O3Si.2C28H35F2N3O3Si/c1-39(2,3)17-16-37-21-35-19-26(24-10-7-11-25(18-24)29(30,31)32)33-27(35)23-12-14-34(15-13-23)28(36)38-20-22-8-5-4-6-9-22;1-39(2,3)17-16-37-21-35-26(24-10-7-11-25(18-24)29(30,31)32)19-33-27(35)23-12-14-34(15-13-23)28(36)38-20-22-8-5-4-6-9-22;1-37(2,3)14-13-35-20-33-18-26(23-15-24(29)17-25(30)16-23)31-27(33)22-9-11-32(12-10-22)28(34)36-19-21-7-5-4-6-8-21;1-37(2,3)14-13-35-20-33-26(23-15-24(29)17-25(30)16-23)18-31-27(33)22-9-11-32(12-10-22)28(34)36-19-21-7-5-4-6-8-21/h2*4-11,18-19,23H,12-17,20-21H2,1-3H3;2*4-8,15-18,22H,9-14,19-20H2,1-3H3
InChIKeyAQKSYGXBGFKDBV-UHFFFAOYSA-N
XLogP28.11
TPSA226.36 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002174.79
LogP ≤ 528.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

Benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 22969470
Benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 22969474
4-[5-(2-Fluoropyridin-4-yl)-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine-1-carboxylic acid benzyl ester
CID 53773584
Benzyl 4-[4-(2-fluoropyridin-4-yl)-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 54164916
Benzyl 2-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazol-1-yl]methyl]piperidine-1-carboxylate
CID 59322405
4-[1-((R)-1-Benzyloxycarbonyl-piperdin-3-yl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 67264883
Benzyl 3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazol-1-yl]piperidine-1-carboxylate
CID 67264884
4-[1-(1-Benzyloxycarbonyl-pyrrolidin-2-ylmethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 67265095
(R)-benzyl 2-((2-(1-(tert-butoxycarbonyl)piperidin-4-yl)-4-(4-fluoro-3-(trifluoromethyl)phenyl)-1H-imidazol-1-yl)methyl)piperidine-1-carboxylate
CID 86641604
Benzyl 4-(1-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)-4-(4-fluoro-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 89442661
4-[1-(1-tert-butoxycarbonyl-pyrrolidin-2-ylmethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-piperidine-1-carboxylic acid benzyl ester
CID 89442782
benzyl (2S)-2-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazol-1-yl]methyl]piperidine-1-carboxylate
CID 141618379

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate (CID 157197590) is benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate is C[Si](C)(C)CCOCn1c(-c2cc(F)cc(F)c2)cnc1C1CCN(C(=O)OCc2ccccc2)CC1.C[Si](C)(C)CCOCn1c(-c2cccc(C(F)(F)F)c2)cnc1C1CCN(C(=O)OCc2ccccc2)CC1.C[Si](C)(C)CCOCn1cc(-c2cc(F)cc(F)c2)nc1C1CCN(C(=O)OCc2ccccc2)CC1.C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is AQKSYGXBGFKDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H36F3N3O3Si.2C28H35F2N3O3Si/c1-39(2,3)17-16-37-21-35-19-26(24-10-7-11-25(18-24)29(30,31)32)33-27(35)23-12-14-34(15-13-23)28(36)38-20-22-8-5-4-6-9-22;1-39(2,3)17-16-37-21-35-26(24-10-7-11-25(18-24)29(30,31)32)19-33-27(35)23-12-14-34(15-13-23)28(36)38-20-22-8-5-4-6-9-22;1-37(2,3)14-13-35-20-33-18-26(23-15-24(29)17-25(30)16-23)31-27(33)22-9-11-32(12-10-22)28(34)36-19-21-7-5-4-6-8-21;1-37(2,3)14-13-35-20-33-26(23-15-24(29)17-25(30)16-23)18-31-27(33)22-9-11-32(12-10-22)28(34)36-19-21-7-5-4-6-8-21/h2*4-11,18-19,23H,12-17,20-21H2,1-3H3;2*4-8,15-18,22H,9-14,19-20H2,1-3H3.
What are the key properties of benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate?
benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 2174.79 g/mol, XLogP of 28.11, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[4-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-(3,5-difluorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate;benzyl 4-[5-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 157197590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).