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

C19H22Cl2N4O2Si — CID 170550446

IUPAC2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile
SMILESC[Si](C)(C)CCOCn1cc(-n2ccnc2)c2c(OCC#N)cc(Cl)c(Cl)c21
InChIInChI=1S/C19H22Cl2N4O2Si/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
InChIKeyIDGFBINVEILEHW-UHFFFAOYSA-N
MW437.40 g/mol
LogP5.35
Rot. Bonds8

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

2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile (PubChem CID 170550446) has the molecular formula C19H22Cl2N4O2Si and a molecular weight of 437.40 g/mol. Its IUPAC name is 2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile.

Molecular Properties

Compound Name2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile
PubChem CID170550446
Molecular FormulaC19H22Cl2N4O2Si
Molecular Weight437.40 g/mol
Exact Mass436.09
IUPAC Name2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile
SMILESC[Si](C)(C)CCOCn1cc(-n2ccnc2)c2c(OCC#N)cc(Cl)c(Cl)c21
InChIInChI=1S/C19H22Cl2N4O2Si/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
InChIKeyIDGFBINVEILEHW-UHFFFAOYSA-N
XLogP5.35
TPSA65.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.40
LogP ≤ 55.35
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-[6,7-dichloro-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
US20230391786, Example 204
CID 170795251
2-[6-Chloro-7-fluoro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile
CID 170550383
CID 170427180
CID 170427180
2-[(6,7-Dichloro-4-ethoxyindol-1-yl)methoxy]ethyl-trimethylsilane
CID 170550459
2-[6,7-Dichloro-3-iodo-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile
CID 170550494
Tert-butyl-[2-[4-(6,7-dichloro-4-phenylmethoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550512
2-[1-[1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-yl]oxyacetonitrile
CID 170550515
CID 170610161
CID 170610161

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile?
The IUPAC name of 2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile (CID 170550446) is 2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile.
What is the SMILES notation for 2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile?
The canonical SMILES for 2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile is C[Si](C)(C)CCOCn1cc(-n2ccnc2)c2c(OCC#N)cc(Cl)c(Cl)c21.
What is the InChIKey of 2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile?
The InChIKey is IDGFBINVEILEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2Si/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-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile?
2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile has a molecular weight of 437.40 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile is sourced from PubChem (CID 170550446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).