triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane

C20H34N2O3Si — CID 175604345

IUPACtriethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane
SMILESCCO[Si](CCCN1C=CN(CCc2ccccc2)C1)(OCC)OCC
InChIInChI=1S/C20H34N2O3Si/c1-4-23-26(24-5-2,25-6-3)18-10-14-21-16-17-22(19-21)15-13-20-11-8-7-9-12-20/h7-9,11-12,16-17H,4-6,10,13-15,18-19H2,1-3H3
InChIKeyQVHJUBTXXDGSJY-UHFFFAOYSA-N
MW378.59 g/mol
LogP3.71
Rot. Bonds13

About triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane

triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane (PubChem CID 175604345) has the molecular formula C20H34N2O3Si and a molecular weight of 378.59 g/mol. Its IUPAC name is triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane
PubChem CID175604345
Molecular FormulaC20H34N2O3Si
Molecular Weight378.59 g/mol
Exact Mass378.23
IUPAC Nametriethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane
SMILESCCO[Si](CCCN1C=CN(CCc2ccccc2)C1)(OCC)OCC
InChIInChI=1S/C20H34N2O3Si/c1-4-23-26(24-5-2,25-6-3)18-10-14-21-16-17-22(19-21)15-13-20-11-8-7-9-12-20/h7-9,11-12,16-17H,4-6,10,13-15,18-19H2,1-3H3
InChIKeyQVHJUBTXXDGSJY-UHFFFAOYSA-N
XLogP3.71
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane?
The IUPAC name of triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane (CID 175604345) is triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane?
The canonical SMILES for triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane is CCO[Si](CCCN1C=CN(CCc2ccccc2)C1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane?
The InChIKey is QVHJUBTXXDGSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3Si/c1-4-23-26(24-5-2,25-6-3)18-10-14-21-16-17-22(19-21)15-13-20-11-8-7-9-12-20/h7-9,11-12,16-17H,4-6,10,13-15,18-19H2,1-3H3.
What are the key properties of triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane?
triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane has a molecular weight of 378.59 g/mol, XLogP of 3.71, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane is sourced from PubChem (CID 175604345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).