tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate

C24H37N3O4Si — CID 70104650

IUPACtert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2nc3ccccc3n2COCC[Si](C)(C)C)CC1
InChIInChI=1S/C24H37N3O4Si/c1-24(2,3)31-23(29)26-13-11-18(12-14-26)21(28)22-25-19-9-7-8-10-20(19)27(22)17-30-15-16-32(4,5)6/h7-10,18H,11-17H2,1-6H3
InChIKeyWLCBCEYWYJDPKX-UHFFFAOYSA-N
MW459.66 g/mol
LogP5.18
Rot. Bonds7

About tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate

tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate (PubChem CID 70104650) has the molecular formula C24H37N3O4Si and a molecular weight of 459.66 g/mol. Its IUPAC name is tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate
PubChem CID70104650
Molecular FormulaC24H37N3O4Si
Molecular Weight459.66 g/mol
Exact Mass459.26
IUPAC Nametert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2nc3ccccc3n2COCC[Si](C)(C)C)CC1
InChIInChI=1S/C24H37N3O4Si/c1-24(2,3)31-23(29)26-13-11-18(12-14-26)21(28)22-25-19-9-7-8-10-20(19)27(22)17-30-15-16-32(4,5)6/h7-10,18H,11-17H2,1-6H3
InChIKeyWLCBCEYWYJDPKX-UHFFFAOYSA-N
XLogP5.18
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.66
LogP ≤ 55.18
H-Bond Donors ≤ 50
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

tert-butyl 4-[1-(2-phenylethenyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate
CID 76556644
tert-butyl 4-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 40716679
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate
CID 141001592
tert-butyl 4-[5-(4-chloro-1,6-naphthyridin-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate
CID 153454008
tert-butyl (3S)-3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97171142
tert-butyl 2-[6-bromo-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 67237092
tert-butyl (2S)-2-[5-iodo-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 58384721
2-[2-[4-[1-(2-ethoxyethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethoxy]acetic acid
CID 131718829
tert-butyl 4-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-methylamino]piperidine-1-carboxylate
CID 71648299
tert-butyl 4-(1,3-benzoxazol-2-yloxymethyl)piperidine-1-carboxylate
CID 71630334
tert-butyl 4-[4-chloro-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate
CID 90420501

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate (CID 70104650) is tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)c2nc3ccccc3n2COCC[Si](C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate?
The InChIKey is WLCBCEYWYJDPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4Si/c1-24(2,3)31-23(29)26-13-11-18(12-14-26)21(28)22-25-19-9-7-8-10-20(19)27(22)17-30-15-16-32(4,5)6/h7-10,18H,11-17H2,1-6H3.
What are the key properties of tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate?
tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate has a molecular weight of 459.66 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 70104650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).