2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile

C19H22ClFN4O2Si — CID 170550383

IUPAC2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile
SMILESC[Si](C)(C)CCOCn1cc(-n2ccnc2)c2c(OCC#N)cc(Cl)c(F)c21
InChIInChI=1S/C19H22ClFN4O2Si/c1-28(2,3)9-8-26-13-25-11-15(24-6-5-23-12-24)17-16(27-7-4-22)10-14(20)18(21)19(17)25/h5-6,10-12H,7-9,13H2,1-3H3
InChIKeyIRPJKMROXLYQGR-UHFFFAOYSA-N
MW420.95 g/mol
LogP4.83
Rot. Bonds8

About 2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile

2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile (PubChem CID 170550383) has the molecular formula C19H22ClFN4O2Si and a molecular weight of 420.95 g/mol. Its IUPAC name is 2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile.

Molecular Properties

Compound Name2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile
PubChem CID170550383
Molecular FormulaC19H22ClFN4O2Si
Molecular Weight420.95 g/mol
Exact Mass420.12
IUPAC Name2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile
SMILESC[Si](C)(C)CCOCn1cc(-n2ccnc2)c2c(OCC#N)cc(Cl)c(F)c21
InChIInChI=1S/C19H22ClFN4O2Si/c1-28(2,3)9-8-26-13-25-11-15(24-6-5-23-12-24)17-16(27-7-4-22)10-14(20)18(21)19(17)25/h5-6,10-12H,7-9,13H2,1-3H3
InChIKeyIRPJKMROXLYQGR-UHFFFAOYSA-N
XLogP4.83
TPSA65.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.95
LogP ≤ 54.83
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 2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile with MolForge

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Related Compounds

US20230391786, Example 72
CID 170427936
US20230391786, Example 61
CID 170427265
N-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
CID 175702346
N-[3-[(4-chlorophenyl)methoxy]-2-methylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
CID 89740509
N-[3-[(4-chlorophenyl)methoxy]-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
CID 89754092
N-[5-[(4-chlorophenyl)methoxy]-2-methylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
CID 89754158
2-[[5-(5-Chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 167374733
Tert-butyl-[2-[4-(6-chloro-3-iodo-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550395
2-[6,7-Dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile
CID 170550446
Tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550482
N-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
CID 175702357
1-[(3-Methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole
CID 83162601

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile?
The IUPAC name of 2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile (CID 170550383) is 2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile.
What is the SMILES notation for 2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile?
The canonical SMILES for 2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile is C[Si](C)(C)CCOCn1cc(-n2ccnc2)c2c(OCC#N)cc(Cl)c(F)c21.
What is the InChIKey of 2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile?
The InChIKey is IRPJKMROXLYQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O2Si/c1-28(2,3)9-8-26-13-25-11-15(24-6-5-23-12-24)17-16(27-7-4-22)10-14(20)18(21)19(17)25/h5-6,10-12H,7-9,13H2,1-3H3.
What are the key properties of 2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile?
2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile has a molecular weight of 420.95 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile is sourced from PubChem (CID 170550383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).