2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane

C15H28ClN3O2Si — CID 156708312

IUPAC2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCN1CCC(Oc2nc(Cl)cn2COCC[Si](C)(C)C)CC1
InChIInChI=1S/C15H28ClN3O2Si/c1-18-7-5-13(6-8-18)21-15-17-14(16)11-19(15)12-20-9-10-22(2,3)4/h11,13H,5-10,12H2,1-4H3
InChIKeyZRDRKUWNZLDKIT-UHFFFAOYSA-N
MW345.95 g/mol
LogP3.32
Rot. Bonds7

About 2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 156708312) has the molecular formula C15H28ClN3O2Si and a molecular weight of 345.95 g/mol. Its IUPAC name is 2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID156708312
Molecular FormulaC15H28ClN3O2Si
Molecular Weight345.95 g/mol
Exact Mass345.16
IUPAC Name2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCN1CCC(Oc2nc(Cl)cn2COCC[Si](C)(C)C)CC1
InChIInChI=1S/C15H28ClN3O2Si/c1-18-7-5-13(6-8-18)21-15-17-14(16)11-19(15)12-20-9-10-22(2,3)4/h11,13H,5-10,12H2,1-4H3
InChIKeyZRDRKUWNZLDKIT-UHFFFAOYSA-N
XLogP3.32
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.95
LogP ≤ 53.32
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 2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 156708312) is 2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane is CN1CCC(Oc2nc(Cl)cn2COCC[Si](C)(C)C)CC1.
What is the InChIKey of 2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZRDRKUWNZLDKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3O2Si/c1-18-7-5-13(6-8-18)21-15-17-14(16)11-19(15)12-20-9-10-22(2,3)4/h11,13H,5-10,12H2,1-4H3.
What are the key properties of 2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 345.95 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-(1-methylpiperidin-4-yl)oxyimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 156708312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).