2,4,5-tribromo-1-(2-fluorobutyl)imidazole

C7H8Br3FN2 — CID 130621972

IUPAC2,4,5-tribromo-1-(2-fluorobutyl)imidazole
SMILESCCC(F)Cn1c(Br)nc(Br)c1Br
InChIInChI=1S/C7H8Br3FN2/c1-2-4(11)3-13-6(9)5(8)12-7(13)10/h4H,2-3H2,1H3
InChIKeyZOBJZDBWKFNFPR-UHFFFAOYSA-N
MW378.87 g/mol
LogP3.92
Rot. Bonds3

About 2,4,5-tribromo-1-(2-fluorobutyl)imidazole

2,4,5-tribromo-1-(2-fluorobutyl)imidazole (PubChem CID 130621972) has the molecular formula C7H8Br3FN2 and a molecular weight of 378.87 g/mol. Its IUPAC name is 2,4,5-tribromo-1-(2-fluorobutyl)imidazole.

Molecular Properties

Compound Name2,4,5-tribromo-1-(2-fluorobutyl)imidazole
PubChem CID130621972
Molecular FormulaC7H8Br3FN2
Molecular Weight378.87 g/mol
Exact Mass375.82
IUPAC Name2,4,5-tribromo-1-(2-fluorobutyl)imidazole
SMILESCCC(F)Cn1c(Br)nc(Br)c1Br
InChIInChI=1S/C7H8Br3FN2/c1-2-4(11)3-13-6(9)5(8)12-7(13)10/h4H,2-3H2,1H3
InChIKeyZOBJZDBWKFNFPR-UHFFFAOYSA-N
XLogP3.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.87
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tribromo-1-(2-fluorobutyl)imidazole?
The IUPAC name of 2,4,5-tribromo-1-(2-fluorobutyl)imidazole (CID 130621972) is 2,4,5-tribromo-1-(2-fluorobutyl)imidazole.
What is the SMILES notation for 2,4,5-tribromo-1-(2-fluorobutyl)imidazole?
The canonical SMILES for 2,4,5-tribromo-1-(2-fluorobutyl)imidazole is CCC(F)Cn1c(Br)nc(Br)c1Br.
What is the InChIKey of 2,4,5-tribromo-1-(2-fluorobutyl)imidazole?
The InChIKey is ZOBJZDBWKFNFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br3FN2/c1-2-4(11)3-13-6(9)5(8)12-7(13)10/h4H,2-3H2,1H3.
What are the key properties of 2,4,5-tribromo-1-(2-fluorobutyl)imidazole?
2,4,5-tribromo-1-(2-fluorobutyl)imidazole has a molecular weight of 378.87 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tribromo-1-(2-fluorobutyl)imidazole is sourced from PubChem (CID 130621972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).