methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate

C23H27ClFN3O3Si — CID 176706576

IUPACmethyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2c(Cl)nc(-c3ccc(F)cn3)n2COCC[Si](C)(C)C)c(C)c1
InChIInChI=1S/C23H27ClFN3O3Si/c1-15-12-16(23(29)30-2)6-8-18(15)20-21(24)27-22(19-9-7-17(25)13-26-19)28(20)14-31-10-11-32(3,4)5/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyMUZKTVGKGFRKDZ-UHFFFAOYSA-N
MW476.02 g/mol
LogP5.81
Rot. Bonds8

About methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate

methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate (PubChem CID 176706576) has the molecular formula C23H27ClFN3O3Si and a molecular weight of 476.02 g/mol. Its IUPAC name is methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate
PubChem CID176706576
Molecular FormulaC23H27ClFN3O3Si
Molecular Weight476.02 g/mol
Exact Mass475.15
IUPAC Namemethyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2c(Cl)nc(-c3ccc(F)cn3)n2COCC[Si](C)(C)C)c(C)c1
InChIInChI=1S/C23H27ClFN3O3Si/c1-15-12-16(23(29)30-2)6-8-18(15)20-21(24)27-22(19-9-7-17(25)13-26-19)28(20)14-31-10-11-32(3,4)5/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyMUZKTVGKGFRKDZ-UHFFFAOYSA-N
XLogP5.81
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 55.81
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'}

Analyze methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate with MolForge

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Related Compounds

2-[[5-(2-tert-butyl-1,1-dioxo-3H-1,2-benzothiazol-4-yl)-4-chloro-2-(5-fluoro-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176706718
2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176706396
methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate
CID 162361540
methyl 4-amino-3-[4-amino-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]benzoate
CID 171630161
methyl 2-[6-chloro-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 68680030
methyl 3-amino-6-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]pyridine-2-carboxylate
CID 86692086
methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate
CID 155908909
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
tert-butyl 2-[[3-chloro-4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]sulfonyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate
CID 176706670
methyl 4-[[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]sulfonimidoyl]benzoate
CID 168792695
2-(4-fluoro-2-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid
CID 165392032
tert-butyl 4-[5-ethyl-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylpiperidine-1-carboxylate
CID 176706679

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate?
The IUPAC name of methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate (CID 176706576) is methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate?
The canonical SMILES for methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate is COC(=O)c1ccc(-c2c(Cl)nc(-c3ccc(F)cn3)n2COCC[Si](C)(C)C)c(C)c1.
What is the InChIKey of methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate?
The InChIKey is MUZKTVGKGFRKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O3Si/c1-15-12-16(23(29)30-2)6-8-18(15)20-21(24)27-22(19-9-7-17(25)13-26-19)28(20)14-31-10-11-32(3,4)5/h6-9,12-13H,10-11,14H2,1-5H3.
What are the key properties of methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate?
methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate has a molecular weight of 476.02 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate is sourced from PubChem (CID 176706576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).