1-tert-butylimidazole;ethyl(diphenyl)borane

C21H27BN2 — CID 67927666

IUPAC1-tert-butylimidazole;ethyl(diphenyl)borane
SMILESCC(C)(C)n1ccnc1.CCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15B.C7H12N2/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-7(2,3)9-5-4-8-6-9/h3-12H,2H2,1H3;4-6H,1-3H3
InChIKeyCARHDBYBYGMIBT-UHFFFAOYSA-N
MW318.27 g/mol
LogP3.95
Rot. Bonds3

About 1-tert-butylimidazole;ethyl(diphenyl)borane

1-tert-butylimidazole;ethyl(diphenyl)borane (PubChem CID 67927666) has the molecular formula C21H27BN2 and a molecular weight of 318.27 g/mol. Its IUPAC name is 1-tert-butylimidazole;ethyl(diphenyl)borane.

Molecular Properties

Compound Name1-tert-butylimidazole;ethyl(diphenyl)borane
PubChem CID67927666
Molecular FormulaC21H27BN2
Molecular Weight318.27 g/mol
Exact Mass318.23
IUPAC Name1-tert-butylimidazole;ethyl(diphenyl)borane
SMILESCC(C)(C)n1ccnc1.CCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15B.C7H12N2/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-7(2,3)9-5-4-8-6-9/h3-12H,2H2,1H3;4-6H,1-3H3
InChIKeyCARHDBYBYGMIBT-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 53.95
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 1-tert-butylimidazole;ethyl(diphenyl)borane?
The IUPAC name of 1-tert-butylimidazole;ethyl(diphenyl)borane (CID 67927666) is 1-tert-butylimidazole;ethyl(diphenyl)borane.
What is the SMILES notation for 1-tert-butylimidazole;ethyl(diphenyl)borane?
The canonical SMILES for 1-tert-butylimidazole;ethyl(diphenyl)borane is CC(C)(C)n1ccnc1.CCB(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-tert-butylimidazole;ethyl(diphenyl)borane?
The InChIKey is CARHDBYBYGMIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15B.C7H12N2/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-7(2,3)9-5-4-8-6-9/h3-12H,2H2,1H3;4-6H,1-3H3.
What are the key properties of 1-tert-butylimidazole;ethyl(diphenyl)borane?
1-tert-butylimidazole;ethyl(diphenyl)borane has a molecular weight of 318.27 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylimidazole;ethyl(diphenyl)borane is sourced from PubChem (CID 67927666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).