[2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane

C17H21Cl2N5OSi — CID 67743815

IUPAC[2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC(Cc1ncc[nH]1)(Cc1ncn[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2N5OSi/c1-26(2,3)25-17(9-15-20-6-7-21-15,10-16-22-11-23-24-16)13-5-4-12(18)8-14(13)19/h4-8,11H,9-10H2,1-3H3,(H,20,21)(H,22,23,24)
InChIKeyGGEKLYOLVUUQRL-UHFFFAOYSA-N
MW410.38 g/mol
LogP4.37
Rot. Bonds7

About [2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane

[2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane (PubChem CID 67743815) has the molecular formula C17H21Cl2N5OSi and a molecular weight of 410.38 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane
PubChem CID67743815
Molecular FormulaC17H21Cl2N5OSi
Molecular Weight410.38 g/mol
Exact Mass409.09
IUPAC Name[2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC(Cc1ncc[nH]1)(Cc1ncn[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2N5OSi/c1-26(2,3)25-17(9-15-20-6-7-21-15,10-16-22-11-23-24-16)13-5-4-12(18)8-14(13)19/h4-8,11H,9-10H2,1-3H3,(H,20,21)(H,22,23,24)
InChIKeyGGEKLYOLVUUQRL-UHFFFAOYSA-N
XLogP4.37
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane?
The IUPAC name of [2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane (CID 67743815) is [2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane is C[Si](C)(C)OC(Cc1ncc[nH]1)(Cc1ncn[nH]1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane?
The InChIKey is GGEKLYOLVUUQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5OSi/c1-26(2,3)25-17(9-15-20-6-7-21-15,10-16-22-11-23-24-16)13-5-4-12(18)8-14(13)19/h4-8,11H,9-10H2,1-3H3,(H,20,21)(H,22,23,24).
What are the key properties of [2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane?
[2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane has a molecular weight of 410.38 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 67743815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).