trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane

C13H22N4OSi — CID 67287236

IUPACtrimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane
SMILESCn1cc(-c2cn(COCC[Si](C)(C)C)cn2)cn1
InChIInChI=1S/C13H22N4OSi/c1-16-8-12(7-15-16)13-9-17(10-14-13)11-18-5-6-19(2,3)4/h7-10H,5-6,11H2,1-4H3
InChIKeyQCVHTVTYQRMJDR-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.60
Rot. Bonds6

About trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 67287236) has the molecular formula C13H22N4OSi and a molecular weight of 278.43 g/mol. Its IUPAC name is trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane
PubChem CID67287236
Molecular FormulaC13H22N4OSi
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Nametrimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane
SMILESCn1cc(-c2cn(COCC[Si](C)(C)C)cn2)cn1
InChIInChI=1S/C13H22N4OSi/c1-16-8-12(7-15-16)13-9-17(10-14-13)11-18-5-6-19(2,3)4/h7-10H,5-6,11H2,1-4H3
InChIKeyQCVHTVTYQRMJDR-UHFFFAOYSA-N
XLogP2.60
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane (CID 67287236) is trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane is Cn1cc(-c2cn(COCC[Si](C)(C)C)cn2)cn1.
What is the InChIKey of trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is QCVHTVTYQRMJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OSi/c1-16-8-12(7-15-16)13-9-17(10-14-13)11-18-5-6-19(2,3)4/h7-10H,5-6,11H2,1-4H3.
What are the key properties of trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 278.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-(1-methylpyrazol-4-yl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 67287236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).