tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate

C23H35N3O3Si — CID 171801319

IUPACtert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate
SMILESC=C(c1ccc(NC(=O)OC(C)(C)C)cc1)c1c(C)ncn1COCC[Si](C)(C)C
InChIInChI=1S/C23H35N3O3Si/c1-17(19-9-11-20(12-10-19)25-22(27)29-23(3,4)5)21-18(2)24-15-26(21)16-28-13-14-30(6,7)8/h9-12,15H,1,13-14,16H2,2-8H3,(H,25,27)
InChIKeyBEMXPKHCVCHXHI-UHFFFAOYSA-N
MW429.64 g/mol
LogP5.91
Rot. Bonds8

About tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate

tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate (PubChem CID 171801319) has the molecular formula C23H35N3O3Si and a molecular weight of 429.64 g/mol. Its IUPAC name is tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate
PubChem CID171801319
Molecular FormulaC23H35N3O3Si
Molecular Weight429.64 g/mol
Exact Mass429.24
IUPAC Nametert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate
SMILESC=C(c1ccc(NC(=O)OC(C)(C)C)cc1)c1c(C)ncn1COCC[Si](C)(C)C
InChIInChI=1S/C23H35N3O3Si/c1-17(19-9-11-20(12-10-19)25-22(27)29-23(3,4)5)21-18(2)24-15-26(21)16-28-13-14-30(6,7)8/h9-12,15H,1,13-14,16H2,2-8H3,(H,25,27)
InChIKeyBEMXPKHCVCHXHI-UHFFFAOYSA-N
XLogP5.91
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.64
LogP ≤ 55.91
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-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate
CID 152533189
tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate
CID 151832153
tert-butyl N-[5-iodo-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]carbamate
CID 66851624
tert-butyl N-[4-(6-bromohexoxy)phenyl]carbamate
CID 175668643
tert-butyl N-[4-[3-bromo-5-cyano-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3-fluorophenyl]carbamate
CID 156845944
bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] benzene-1,4-dicarboxylate
CID 168866198
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate
CID 17097680
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-[(1S)-1-cycloheptyl-2-[[6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-2-oxoethyl]carbamate
CID 167525679
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate (CID 171801319) is tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate is C=C(c1ccc(NC(=O)OC(C)(C)C)cc1)c1c(C)ncn1COCC[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate?
The InChIKey is BEMXPKHCVCHXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3Si/c1-17(19-9-11-20(12-10-19)25-22(27)29-23(3,4)5)21-18(2)24-15-26(21)16-28-13-14-30(6,7)8/h9-12,15H,1,13-14,16H2,2-8H3,(H,25,27).
What are the key properties of tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate?
tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate has a molecular weight of 429.64 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate is sourced from PubChem (CID 171801319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).