2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane

C14H18ClFIN3OSi — CID 176706396

IUPAC2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(F)cn2)nc(I)c1Cl
InChIInChI=1S/C14H18ClFIN3OSi/c1-22(2,3)7-6-21-9-20-12(15)13(17)19-14(20)11-5-4-10(16)8-18-11/h4-5,8H,6-7,9H2,1-3H3
InChIKeyQOZNTZXGZSRLMI-UHFFFAOYSA-N
MW453.76 g/mol
LogP4.65
Rot. Bonds6

About 2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 176706396) has the molecular formula C14H18ClFIN3OSi and a molecular weight of 453.76 g/mol. Its IUPAC name is 2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID176706396
Molecular FormulaC14H18ClFIN3OSi
Molecular Weight453.76 g/mol
Exact Mass452.99
IUPAC Name2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(F)cn2)nc(I)c1Cl
InChIInChI=1S/C14H18ClFIN3OSi/c1-22(2,3)7-6-21-9-20-12(15)13(17)19-14(20)11-5-4-10(16)8-18-11/h4-5,8H,6-7,9H2,1-3H3
InChIKeyQOZNTZXGZSRLMI-UHFFFAOYSA-N
XLogP4.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.76
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate
CID 176706576
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-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 174596817
tert-butyl 4-[5-ethyl-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylpiperidine-1-carboxylate
CID 176706679
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
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
4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
CID 137154484
2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59137278
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155640242
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
2-[(4-chloro-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 77230728

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 176706396) is 2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccc(F)cn2)nc(I)c1Cl.
What is the InChIKey of 2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is QOZNTZXGZSRLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFIN3OSi/c1-22(2,3)7-6-21-9-20-12(15)13(17)19-14(20)11-5-4-10(16)8-18-11/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 453.76 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 176706396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).