2-benzyl-1H-imidazole;ethenyl(diphenyl)borane

C24H23BN2 — CID 67927097

IUPAC2-benzyl-1H-imidazole;ethenyl(diphenyl)borane
SMILESC=CB(c1ccccc1)c1ccccc1.c1ccc(Cc2ncc[nH]2)cc1
InChIInChI=1S/C14H13B.C10H10N2/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-4-9(5-3-1)8-10-11-6-7-12-10/h2-12H,1H2;1-7H,8H2,(H,11,12)
InChIKeyGYYKMLIMPICZBM-UHFFFAOYSA-N
MW350.27 g/mol
LogP4.02
Rot. Bonds5

About 2-benzyl-1H-imidazole;ethenyl(diphenyl)borane

2-benzyl-1H-imidazole;ethenyl(diphenyl)borane (PubChem CID 67927097) has the molecular formula C24H23BN2 and a molecular weight of 350.27 g/mol. Its IUPAC name is 2-benzyl-1H-imidazole;ethenyl(diphenyl)borane.

Molecular Properties

Compound Name2-benzyl-1H-imidazole;ethenyl(diphenyl)borane
PubChem CID67927097
Molecular FormulaC24H23BN2
Molecular Weight350.27 g/mol
Exact Mass350.20
IUPAC Name2-benzyl-1H-imidazole;ethenyl(diphenyl)borane
SMILESC=CB(c1ccccc1)c1ccccc1.c1ccc(Cc2ncc[nH]2)cc1
InChIInChI=1S/C14H13B.C10H10N2/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-4-9(5-3-1)8-10-11-6-7-12-10/h2-12H,1H2;1-7H,8H2,(H,11,12)
InChIKeyGYYKMLIMPICZBM-UHFFFAOYSA-N
XLogP4.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-benzyl-1H-imidazole;ethenyl(diphenyl)borane?
The IUPAC name of 2-benzyl-1H-imidazole;ethenyl(diphenyl)borane (CID 67927097) is 2-benzyl-1H-imidazole;ethenyl(diphenyl)borane.
What is the SMILES notation for 2-benzyl-1H-imidazole;ethenyl(diphenyl)borane?
The canonical SMILES for 2-benzyl-1H-imidazole;ethenyl(diphenyl)borane is C=CB(c1ccccc1)c1ccccc1.c1ccc(Cc2ncc[nH]2)cc1.
What is the InChIKey of 2-benzyl-1H-imidazole;ethenyl(diphenyl)borane?
The InChIKey is GYYKMLIMPICZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13B.C10H10N2/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-4-9(5-3-1)8-10-11-6-7-12-10/h2-12H,1H2;1-7H,8H2,(H,11,12).
What are the key properties of 2-benzyl-1H-imidazole;ethenyl(diphenyl)borane?
2-benzyl-1H-imidazole;ethenyl(diphenyl)borane has a molecular weight of 350.27 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1H-imidazole;ethenyl(diphenyl)borane is sourced from PubChem (CID 67927097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).