[5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone

C25H32N2O3Si — CID 101488390

IUPAC[5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ncn(C)c2Cc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H32N2O3Si/c1-25(2,3)31(6,7)30-21-12-8-18(9-13-21)16-22-23(26-17-27(22)4)24(28)19-10-14-20(29-5)15-11-19/h8-15,17H,16H2,1-7H3
InChIKeyWWRBIDDLWUZTFN-UHFFFAOYSA-N
MW436.63 g/mol
LogP5.63
Rot. Bonds7

About [5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone

[5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 101488390) has the molecular formula C25H32N2O3Si and a molecular weight of 436.63 g/mol. Its IUPAC name is [5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone
PubChem CID101488390
Molecular FormulaC25H32N2O3Si
Molecular Weight436.63 g/mol
Exact Mass436.22
IUPAC Name[5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ncn(C)c2Cc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H32N2O3Si/c1-25(2,3)31(6,7)30-21-12-8-18(9-13-21)16-22-23(26-17-27(22)4)24(28)19-10-14-20(29-5)15-11-19/h8-15,17H,16H2,1-7H3
InChIKeyWWRBIDDLWUZTFN-UHFFFAOYSA-N
XLogP5.63
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.63
LogP ≤ 55.63
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

tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
CID 10950821
6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
CID 53242453
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethylbenzamide
CID 58586309
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one
CID 154718984
magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride
CID 173072447
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one
CID 86037081
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588
5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
CID 53242336
N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide
CID 70031160
(4-methoxyphenyl)-(5-trimethylsilylfuran-2-yl)methanone
CID 86055708

Frequently Asked Questions

What is the IUPAC name of [5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone (CID 101488390) is [5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ncn(C)c2Cc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of [5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is WWRBIDDLWUZTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3Si/c1-25(2,3)31(6,7)30-21-12-8-18(9-13-21)16-22-23(26-17-27(22)4)24(28)19-10-14-20(29-5)15-11-19/h8-15,17H,16H2,1-7H3.
What are the key properties of [5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone?
[5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 436.63 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-methylimidazol-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 101488390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).