benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate

C26H38N4O3Si — CID 59509566

IUPACbenzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate
SMILESC[Si](C)(C)CCOCn1cc(C2=CCNCC2)nc1[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C26H38N4O3Si/c1-34(2,3)17-16-32-20-29-18-23(22-11-13-27-14-12-22)28-25(29)24-10-7-15-30(24)26(31)33-19-21-8-5-4-6-9-21/h4-6,8-9,11,18,24,27H,7,10,12-17,19-20H2,1-3H3/t24-/m0/s1
InChIKeyLZUXZFAMOCELKT-DEOSSOPVSA-N
MW482.70 g/mol
LogP5.05
Rot. Bonds9

About benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate

benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate (PubChem CID 59509566) has the molecular formula C26H38N4O3Si and a molecular weight of 482.70 g/mol. Its IUPAC name is benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate
PubChem CID59509566
Molecular FormulaC26H38N4O3Si
Molecular Weight482.70 g/mol
Exact Mass482.27
IUPAC Namebenzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate
SMILESC[Si](C)(C)CCOCn1cc(C2=CCNCC2)nc1[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C26H38N4O3Si/c1-34(2,3)17-16-32-20-29-18-23(22-11-13-27-14-12-22)28-25(29)24-10-7-15-30(24)26(31)33-19-21-8-5-4-6-9-21/h4-6,8-9,11,18,24,27H,7,10,12-17,19-20H2,1-3H3/t24-/m0/s1
InChIKeyLZUXZFAMOCELKT-DEOSSOPVSA-N
XLogP5.05
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.70
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

benzyl (2S)-2-[4-[4-[4-[5-ethyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate
CID 58371726
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 137320135
5-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid
CID 125453058
5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 85274193
benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate
CID 73232289
benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 59548510
benzyl 2-(4-methyl-6-sulfanylidene-1H-pyridin-3-yl)pyrrolidine-1-carboxylate
CID 102542696
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
benzyl 2-(2-methyl-6-sulfanylidene-1H-pyridin-3-yl)pyrrolidine-1-carboxylate
CID 102542728
benzyl (2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 66855550
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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate (CID 59509566) is benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate is C[Si](C)(C)CCOCn1cc(C2=CCNCC2)nc1[C@@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is LZUXZFAMOCELKT-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H38N4O3Si/c1-34(2,3)17-16-32-20-29-18-23(22-11-13-27-14-12-22)28-25(29)24-10-7-15-30(24)26(31)33-19-21-8-5-4-6-9-21/h4-6,8-9,11,18,24,27H,7,10,12-17,19-20H2,1-3H3/t24-/m0/s1.
What are the key properties of benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate?
benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 482.70 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 59509566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).