3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane

C9H20N2O3Si — CID 18944736

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane
SMILESCO[Si](CCCC1=NCCN1)(OC)OC
InChIInChI=1S/C9H20N2O3Si/c1-12-15(13-2,14-3)8-4-5-9-10-6-7-11-9/h4-8H2,1-3H3,(H,10,11)
InChIKeyZMOYWJFMTYAQGN-UHFFFAOYSA-N
MW232.36 g/mol
LogP0.65
Rot. Bonds7

About 3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane

3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane (PubChem CID 18944736) has the molecular formula C9H20N2O3Si and a molecular weight of 232.36 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane
PubChem CID18944736
Molecular FormulaC9H20N2O3Si
Molecular Weight232.36 g/mol
Exact Mass232.12
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane
SMILESCO[Si](CCCC1=NCCN1)(OC)OC
InChIInChI=1S/C9H20N2O3Si/c1-12-15(13-2,14-3)8-4-5-9-10-6-7-11-9/h4-8H2,1-3H3,(H,10,11)
InChIKeyZMOYWJFMTYAQGN-UHFFFAOYSA-N
XLogP0.65
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole
CID 173419263
3-(4,5-dihydro-1H-imidazol-2-yl)propyl-triethoxy-λ4-sulfane
CID 150600859
2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 66957865
N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine
CID 129144601
2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 95450542
2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 71404403
ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
CID 145111115
2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole
CID 45092629
2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole
CID 150959771
2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 82289819
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline
CID 12774555
2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole
CID 159869190

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane (CID 18944736) is 3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane is CO[Si](CCCC1=NCCN1)(OC)OC.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane?
The InChIKey is ZMOYWJFMTYAQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3Si/c1-12-15(13-2,14-3)8-4-5-9-10-6-7-11-9/h4-8H2,1-3H3,(H,10,11).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane?
3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane has a molecular weight of 232.36 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane is sourced from PubChem (CID 18944736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).