methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate

C21H32N2O3Si — CID 11153462

IUPACmethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate
SMILESCOC(=O)CC(CO[Si](C)(C)C(C)(C)C)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C21H32N2O3Si/c1-21(2,3)27(5,6)26-16-17(14-19(24)25-4)15-23-13-12-22-20(23)18-10-8-7-9-11-18/h7-13,17H,14-16H2,1-6H3
InChIKeyLXDXASKWJDTHCJ-UHFFFAOYSA-N
MW388.58 g/mol
LogP4.75
Rot. Bonds8

About methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate

methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate (PubChem CID 11153462) has the molecular formula C21H32N2O3Si and a molecular weight of 388.58 g/mol. Its IUPAC name is methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate
PubChem CID11153462
Molecular FormulaC21H32N2O3Si
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC Namemethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate
SMILESCOC(=O)CC(CO[Si](C)(C)C(C)(C)C)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C21H32N2O3Si/c1-21(2,3)27(5,6)26-16-17(14-19(24)25-4)15-23-13-12-22-20(23)18-10-8-7-9-11-18/h7-13,17H,14-16H2,1-6H3
InChIKeyLXDXASKWJDTHCJ-UHFFFAOYSA-N
XLogP4.75
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[[5-(4-bromophenyl)-1,2,4-triazin-3-yl]methyl]-3-(2-phenylimidazol-1-yl)propoxy]-tert-butyl-dimethylsilane
CID 11295999
methyl 4-(2-phenylimidazol-1-yl)butanoate
CID 11149223
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine
CID 107506135
2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid
CID 63075138
N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine
CID 62042759
methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
CID 82561175
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
1-(2,2-dimethylpropyl)-2-phenylimidazole
CID 21060212
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
CID 62566993

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate?
The IUPAC name of methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate (CID 11153462) is methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate.
What is the SMILES notation for methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate?
The canonical SMILES for methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate is COC(=O)CC(CO[Si](C)(C)C(C)(C)C)Cn1ccnc1-c1ccccc1.
What is the InChIKey of methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate?
The InChIKey is LXDXASKWJDTHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3Si/c1-21(2,3)27(5,6)26-16-17(14-19(24)25-4)15-23-13-12-22-20(23)18-10-8-7-9-11-18/h7-13,17H,14-16H2,1-6H3.
What are the key properties of methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate?
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate has a molecular weight of 388.58 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate is sourced from PubChem (CID 11153462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).