imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane

C34H37BN2Si — CID 67904105

IUPACimidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane
SMILESCB(c1ccccc1)c1ccccc1.CCCC=C[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2Si.C13H13B/c1-2-3-10-17-24(19-23-16-15-22-18-23,20-11-6-4-7-12-20)21-13-8-5-9-14-21;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h4-18H,2-3,19H2,1H3;2-11H,1H3
InChIKeyCEZDCFAFFFWVBS-UHFFFAOYSA-N
MW512.58 g/mol
LogP5.51
Rot. Bonds9

About imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane

imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane (PubChem CID 67904105) has the molecular formula C34H37BN2Si and a molecular weight of 512.58 g/mol. Its IUPAC name is imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane.

Molecular Properties

Compound Nameimidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane
PubChem CID67904105
Molecular FormulaC34H37BN2Si
Molecular Weight512.58 g/mol
Exact Mass512.28
IUPAC Nameimidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane
SMILESCB(c1ccccc1)c1ccccc1.CCCC=C[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2Si.C13H13B/c1-2-3-10-17-24(19-23-16-15-22-18-23,20-11-6-4-7-12-20)21-13-8-5-9-14-21;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h4-18H,2-3,19H2,1H3;2-11H,1H3
InChIKeyCEZDCFAFFFWVBS-UHFFFAOYSA-N
XLogP5.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.58
LogP ≤ 55.51
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 imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane?
The IUPAC name of imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane (CID 67904105) is imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane.
What is the SMILES notation for imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane?
The canonical SMILES for imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane is CB(c1ccccc1)c1ccccc1.CCCC=C[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane?
The InChIKey is CEZDCFAFFFWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2Si.C13H13B/c1-2-3-10-17-24(19-23-16-15-22-18-23,20-11-6-4-7-12-20)21-13-8-5-9-14-21;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h4-18H,2-3,19H2,1H3;2-11H,1H3.
What are the key properties of imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane?
imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane has a molecular weight of 512.58 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-ylmethyl-pent-1-enyl-diphenylsilane;methyl(diphenyl)borane is sourced from PubChem (CID 67904105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).