4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane

C29H41BF2N2 — CID 67927722

IUPAC4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane
SMILESCCB(c1cccc(F)c1)c1cccc(F)c1.CCCCCCc1nc[nH]c1CCCCCC
InChIInChI=1S/C15H28N2.C14H13BF2/c1-3-5-7-9-11-14-15(17-13-16-14)12-10-8-6-4-2;1-2-15(11-5-3-7-13(16)9-11)12-6-4-8-14(17)10-12/h13H,3-12H2,1-2H3,(H,16,17);3-10H,2H2,1H3
InChIKeyICVKMTHUWLRNKK-UHFFFAOYSA-N
MW466.47 g/mol
LogP7.25
Rot. Bonds13

About 4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane

4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane (PubChem CID 67927722) has the molecular formula C29H41BF2N2 and a molecular weight of 466.47 g/mol. Its IUPAC name is 4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane.

Molecular Properties

Compound Name4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane
PubChem CID67927722
Molecular FormulaC29H41BF2N2
Molecular Weight466.47 g/mol
Exact Mass466.33
IUPAC Name4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane
SMILESCCB(c1cccc(F)c1)c1cccc(F)c1.CCCCCCc1nc[nH]c1CCCCCC
InChIInChI=1S/C15H28N2.C14H13BF2/c1-3-5-7-9-11-14-15(17-13-16-14)12-10-8-6-4-2;1-2-15(11-5-3-7-13(16)9-11)12-6-4-8-14(17)10-12/h13H,3-12H2,1-2H3,(H,16,17);3-10H,2H2,1H3
InChIKeyICVKMTHUWLRNKK-UHFFFAOYSA-N
XLogP7.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.47
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 141093260
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CID 161334491
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Frequently Asked Questions

What is the IUPAC name of 4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane?
The IUPAC name of 4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane (CID 67927722) is 4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane.
What is the SMILES notation for 4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane?
The canonical SMILES for 4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane is CCB(c1cccc(F)c1)c1cccc(F)c1.CCCCCCc1nc[nH]c1CCCCCC.
What is the InChIKey of 4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane?
The InChIKey is ICVKMTHUWLRNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2.C14H13BF2/c1-3-5-7-9-11-14-15(17-13-16-14)12-10-8-6-4-2;1-2-15(11-5-3-7-13(16)9-11)12-6-4-8-14(17)10-12/h13H,3-12H2,1-2H3,(H,16,17);3-10H,2H2,1H3.
What are the key properties of 4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane?
4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane has a molecular weight of 466.47 g/mol, XLogP of 7.25, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane is sourced from PubChem (CID 67927722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).