but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane

C37H41BN2Si — CID 173368009

IUPACbut-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane
SMILESCCC=C[SiH](CC)C(c1ccccc1)(c1ccccc1)n1ccnc1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2Si.C15H15B/c1-3-5-18-25(4-2)22(24-17-16-23-19-24,20-12-8-6-9-13-20)21-14-10-7-11-15-21;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h5-19,25H,3-4H2,1-2H3;1-10,15H,11-12H2
InChIKeyBPLZJSSZOBGDRV-UHFFFAOYSA-N
MW552.65 g/mol
LogP7.43
Rot. Bonds10

About but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane

but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane (PubChem CID 173368009) has the molecular formula C37H41BN2Si and a molecular weight of 552.65 g/mol. Its IUPAC name is but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane.

Molecular Properties

Compound Namebut-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane
PubChem CID173368009
Molecular FormulaC37H41BN2Si
Molecular Weight552.65 g/mol
Exact Mass552.31
IUPAC Namebut-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane
SMILESCCC=C[SiH](CC)C(c1ccccc1)(c1ccccc1)n1ccnc1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2Si.C15H15B/c1-3-5-18-25(4-2)22(24-17-16-23-19-24,20-12-8-6-9-13-20)21-14-10-7-11-15-21;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h5-19,25H,3-4H2,1-2H3;1-10,15H,11-12H2
InChIKeyBPLZJSSZOBGDRV-UHFFFAOYSA-N
XLogP7.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.65
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane
CID 161030074
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane
CID 158251515
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
CID 158834428
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane
CID 160914247
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane
CID 159224210
cyclopropyl(diphenyl)borane;hex-2-enyl-(imidazol-1-ylmethyl)-diphenylsilane
CID 67904044
[imidazol-1-yl(diphenyl)methyl]-methyl-prop-2-enylsilane
CID 173368026
cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane
CID 67904027
cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane
CID 67904530
cyclopropyl(diphenyl)borane;hex-4-enyl-(imidazol-1-ylmethyl)-diphenylsilane
CID 67904140
cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane
CID 67903777
1-tert-butylimidazole;ethyl(diphenyl)borane
CID 67927666

Frequently Asked Questions

What is the IUPAC name of but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane?
The IUPAC name of but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane (CID 173368009) is but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane.
What is the SMILES notation for but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane?
The canonical SMILES for but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane is CCC=C[SiH](CC)C(c1ccccc1)(c1ccccc1)n1ccnc1.c1ccc(B(c2ccccc2)C2CC2)cc1.
What is the InChIKey of but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane?
The InChIKey is BPLZJSSZOBGDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2Si.C15H15B/c1-3-5-18-25(4-2)22(24-17-16-23-19-24,20-12-8-6-9-13-20)21-14-10-7-11-15-21;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h5-19,25H,3-4H2,1-2H3;1-10,15H,11-12H2.
What are the key properties of but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane?
but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane has a molecular weight of 552.65 g/mol, XLogP of 7.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane is sourced from PubChem (CID 173368009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).