3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane

C13H28N2O2Si — CID 140625026

IUPAC3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane
SMILESCCCO[Si](C)(CCCN1C=NCC1)OCCC
InChIInChI=1S/C13H28N2O2Si/c1-4-10-16-18(3,17-11-5-2)12-6-8-15-9-7-14-13-15/h13H,4-12H2,1-3H3
InChIKeyMCNWHYBWYKFYFK-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.65
Rot. Bonds10

About 3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane

3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane (PubChem CID 140625026) has the molecular formula C13H28N2O2Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane
PubChem CID140625026
Molecular FormulaC13H28N2O2Si
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane
SMILESCCCO[Si](C)(CCCN1C=NCC1)OCCC
InChIInChI=1S/C13H28N2O2Si/c1-4-10-16-18(3,17-11-5-2)12-6-8-15-9-7-14-13-15/h13H,4-12H2,1-3H3
InChIKeyMCNWHYBWYKFYFK-UHFFFAOYSA-N
XLogP2.65
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane (CID 140625026) is 3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane is CCCO[Si](C)(CCCN1C=NCC1)OCCC.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane?
The InChIKey is MCNWHYBWYKFYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2Si/c1-4-10-16-18(3,17-11-5-2)12-6-8-15-9-7-14-13-15/h13H,4-12H2,1-3H3.
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane?
3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane has a molecular weight of 272.46 g/mol, XLogP of 2.65, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane is sourced from PubChem (CID 140625026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).