tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate

C21H33N3O3Si — CID 152533189

IUPACtert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate
SMILESCc1c(-c2ccc(NC(=O)OC(C)(C)C)cc2)ncn1COCC[Si](C)(C)C
InChIInChI=1S/C21H33N3O3Si/c1-16-19(22-14-24(16)15-26-12-13-28(5,6)7)17-8-10-18(11-9-17)23-20(25)27-21(2,3)4/h8-11,14H,12-13,15H2,1-7H3,(H,23,25)
InChIKeyYJYKWXSOEPFCNV-UHFFFAOYSA-N
MW403.60 g/mol
LogP5.52
Rot. Bonds7

About tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate

tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate (PubChem CID 152533189) has the molecular formula C21H33N3O3Si and a molecular weight of 403.60 g/mol. Its IUPAC name is tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate
PubChem CID152533189
Molecular FormulaC21H33N3O3Si
Molecular Weight403.60 g/mol
Exact Mass403.23
IUPAC Nametert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate
SMILESCc1c(-c2ccc(NC(=O)OC(C)(C)C)cc2)ncn1COCC[Si](C)(C)C
InChIInChI=1S/C21H33N3O3Si/c1-16-19(22-14-24(16)15-26-12-13-28(5,6)7)17-8-10-18(11-9-17)23-20(25)27-21(2,3)4/h8-11,14H,12-13,15H2,1-7H3,(H,23,25)
InChIKeyYJYKWXSOEPFCNV-UHFFFAOYSA-N
XLogP5.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.60
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate
CID 171801319
tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate
CID 151832153
N-[(2S)-1,1-dicyclopropyl-3-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 156779226
ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 59677265
tert-butyl N-[2-[5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]thiophen-3-yl]carbamate
CID 86717532
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
tert-butyl N-[5-iodo-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]carbamate
CID 66851624
tert-butyl N-[(2R)-2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[1,3-dihydroindene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl]carbamate
CID 73013404
tert-butyl N-[4-[3-bromo-5-cyano-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3-chlorophenyl]carbamate
CID 156845932
tert-butyl N-[4-[3-bromo-5-cyano-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3-fluorophenyl]carbamate
CID 156845944
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-[1-[4-[2-bromo-4-(methoxycarbonylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]but-3-enyl]carbamate
CID 77183760

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate (CID 152533189) is tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate is Cc1c(-c2ccc(NC(=O)OC(C)(C)C)cc2)ncn1COCC[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate?
The InChIKey is YJYKWXSOEPFCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3Si/c1-16-19(22-14-24(16)15-26-12-13-28(5,6)7)17-8-10-18(11-9-17)23-20(25)27-21(2,3)4/h8-11,14H,12-13,15H2,1-7H3,(H,23,25).
What are the key properties of tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate?
tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate has a molecular weight of 403.60 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate is sourced from PubChem (CID 152533189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).