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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate
CID 174058071
3-(benzotriazol-2-yl)propyl-triethoxysilane
CID 168967771
1-benzyl-3-decyl-2H-imidazole
CID 69393600
1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
CID 175303138
3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine
CID 175434467
benzyl-diethoxy-(3-phenylpropoxy)silane
CID 67542765
4-[1-phenyl-2-[3-(2-phenylethyl)-2H-imidazol-1-yl]ethoxy]aniline;hydrochloride
CID 173456233
1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide
CID 68511239
3-(3,5-dipropyl-1,3,5-triazinan-1-yl)propyl-triethoxysilane
CID 153419971
toluene;3-triethoxysilylpropane-1-thiol
CID 159252127
triethoxy(5-phenoxypentyl)silane
CID 69261827
[diethoxy(2-phenylethoxy)silyl]methanethiol
CID 141358316

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).