tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane

C15H22N4OSi — CID 174087935

IUPACtert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cn(C2=NC=C=CC=N2)cn1
InChIInChI=1S/C15H22N4OSi/c1-15(2,3)21(4,5)20-11-13-10-19(12-18-13)14-16-8-6-7-9-17-14/h6,8-10,12H,11H2,1-5H3
InChIKeyAPIFRPPGVBKFHX-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.36
Rot. Bonds3

About tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane

tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane (PubChem CID 174087935) has the molecular formula C15H22N4OSi and a molecular weight of 302.45 g/mol. Its IUPAC name is tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane
PubChem CID174087935
Molecular FormulaC15H22N4OSi
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Nametert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cn(C2=NC=C=CC=N2)cn1
InChIInChI=1S/C15H22N4OSi/c1-15(2,3)21(4,5)20-11-13-10-19(12-18-13)14-16-8-6-7-9-17-14/h6,8-10,12H,11H2,1-5H3
InChIKeyAPIFRPPGVBKFHX-UHFFFAOYSA-N
XLogP3.36
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.36
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 tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane (CID 174087935) is tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cn(C2=NC=C=CC=N2)cn1.
What is the InChIKey of tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane?
The InChIKey is APIFRPPGVBKFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OSi/c1-15(2,3)21(4,5)20-11-13-10-19(12-18-13)14-16-8-6-7-9-17-14/h6,8-10,12H,11H2,1-5H3.
What are the key properties of tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane has a molecular weight of 302.45 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-(1,3-diazacyclohepta-1,3,5,6-tetraen-2-yl)imidazol-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 174087935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).