bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane

C17H14Cl4N2Si — CID 13392449

IUPACbis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane
SMILESC[Si](Cn1ccnc1)(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl4N2Si/c1-24(11-23-7-6-22-10-23,16-4-2-12(18)8-14(16)20)17-5-3-13(19)9-15(17)21/h2-10H,11H2,1H3
InChIKeyUYCRZJCNDDMRSL-UHFFFAOYSA-N
MW416.21 g/mol
LogP4.93
Rot. Bonds4

About bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane

bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane (PubChem CID 13392449) has the molecular formula C17H14Cl4N2Si and a molecular weight of 416.21 g/mol. Its IUPAC name is bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane.

Molecular Properties

Compound Namebis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane
PubChem CID13392449
Molecular FormulaC17H14Cl4N2Si
Molecular Weight416.21 g/mol
Exact Mass413.97
IUPAC Namebis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane
SMILESC[Si](Cn1ccnc1)(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl4N2Si/c1-24(11-23-7-6-22-10-23,16-4-2-12(18)8-14(16)20)17-5-3-13(19)9-15(17)21/h2-10H,11H2,1H3
InChIKeyUYCRZJCNDDMRSL-UHFFFAOYSA-N
XLogP4.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.21
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane?
The IUPAC name of bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane (CID 13392449) is bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane.
What is the SMILES notation for bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane?
The canonical SMILES for bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane is C[Si](Cn1ccnc1)(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane?
The InChIKey is UYCRZJCNDDMRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl4N2Si/c1-24(11-23-7-6-22-10-23,16-4-2-12(18)8-14(16)20)17-5-3-13(19)9-15(17)21/h2-10H,11H2,1H3.
What are the key properties of bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane?
bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane has a molecular weight of 416.21 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane is sourced from PubChem (CID 13392449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).