2-ethyl-1H-imidazole;methyl(diphenyl)borane

C18H21BN2 — CID 15753724

IUPAC2-ethyl-1H-imidazole;methyl(diphenyl)borane
SMILESCB(c1ccccc1)c1ccccc1.CCc1ncc[nH]1
InChIInChI=1S/C13H13B.C5H8N2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-5-6-3-4-7-5/h2-11H,1H3;3-4H,2H2,1H3,(H,6,7)
InChIKeyLTXDQEWNRPFZOA-UHFFFAOYSA-N
MW276.19 g/mol
LogP2.90
Rot. Bonds3

About 2-ethyl-1H-imidazole;methyl(diphenyl)borane

2-ethyl-1H-imidazole;methyl(diphenyl)borane (PubChem CID 15753724) has the molecular formula C18H21BN2 and a molecular weight of 276.19 g/mol. Its IUPAC name is 2-ethyl-1H-imidazole;methyl(diphenyl)borane.

Molecular Properties

Compound Name2-ethyl-1H-imidazole;methyl(diphenyl)borane
PubChem CID15753724
Molecular FormulaC18H21BN2
Molecular Weight276.19 g/mol
Exact Mass276.18
IUPAC Name2-ethyl-1H-imidazole;methyl(diphenyl)borane
SMILESCB(c1ccccc1)c1ccccc1.CCc1ncc[nH]1
InChIInChI=1S/C13H13B.C5H8N2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-5-6-3-4-7-5/h2-11H,1H3;3-4H,2H2,1H3,(H,6,7)
InChIKeyLTXDQEWNRPFZOA-UHFFFAOYSA-N
XLogP2.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethyl-1H-imidazole
CID 144736598
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CID 70001211
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CID 175121589
2-ethyl-1H-imidazole;methanol
CID 176573862
2-ethyl-1H-imidazole;hexafluoroantimony(1-)
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acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
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2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
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2-benzyl-1H-imidazole;ethenyl(diphenyl)borane
CID 67927097
2-(2-phenylethyl)-1H-imidazole;hydrochloride
CID 67183879
acetonitrile;2-benzyl-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-imidazole;methyl(diphenyl)borane?
The IUPAC name of 2-ethyl-1H-imidazole;methyl(diphenyl)borane (CID 15753724) is 2-ethyl-1H-imidazole;methyl(diphenyl)borane.
What is the SMILES notation for 2-ethyl-1H-imidazole;methyl(diphenyl)borane?
The canonical SMILES for 2-ethyl-1H-imidazole;methyl(diphenyl)borane is CB(c1ccccc1)c1ccccc1.CCc1ncc[nH]1.
What is the InChIKey of 2-ethyl-1H-imidazole;methyl(diphenyl)borane?
The InChIKey is LTXDQEWNRPFZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13B.C5H8N2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-5-6-3-4-7-5/h2-11H,1H3;3-4H,2H2,1H3,(H,6,7).
What are the key properties of 2-ethyl-1H-imidazole;methyl(diphenyl)borane?
2-ethyl-1H-imidazole;methyl(diphenyl)borane has a molecular weight of 276.19 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-imidazole;methyl(diphenyl)borane is sourced from PubChem (CID 15753724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).