4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole

C8H8Br2F2N4 — CID 167624331

IUPAC4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole
SMILESBrc1cnc[nH]1.FC(F)Cn1cnc(Br)c1
InChIInChI=1S/C5H5BrF2N2.C3H3BrN2/c6-4-1-10(3-9-4)2-5(7)8;4-3-1-5-2-6-3/h1,3,5H,2H2;1-2H,(H,5,6)
InChIKeyMWNHWANTDRQLIY-UHFFFAOYSA-N
MW357.98 g/mol
LogP3.08
Rot. Bonds2

About 4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole

4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole (PubChem CID 167624331) has the molecular formula C8H8Br2F2N4 and a molecular weight of 357.98 g/mol. Its IUPAC name is 4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole.

Molecular Properties

Compound Name4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole
PubChem CID167624331
Molecular FormulaC8H8Br2F2N4
Molecular Weight357.98 g/mol
Exact Mass355.91
IUPAC Name4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole
SMILESBrc1cnc[nH]1.FC(F)Cn1cnc(Br)c1
InChIInChI=1S/C5H5BrF2N2.C3H3BrN2/c6-4-1-10(3-9-4)2-5(7)8;4-3-1-5-2-6-3/h1,3,5H,2H2;1-2H,(H,5,6)
InChIKeyMWNHWANTDRQLIY-UHFFFAOYSA-N
XLogP3.08
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.98
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole?
The IUPAC name of 4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole (CID 167624331) is 4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole.
What is the SMILES notation for 4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole?
The canonical SMILES for 4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole is Brc1cnc[nH]1.FC(F)Cn1cnc(Br)c1.
What is the InChIKey of 4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole?
The InChIKey is MWNHWANTDRQLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF2N2.C3H3BrN2/c6-4-1-10(3-9-4)2-5(7)8;4-3-1-5-2-6-3/h1,3,5H,2H2;1-2H,(H,5,6).
What are the key properties of 4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole?
4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole has a molecular weight of 357.98 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,2-difluoroethyl)imidazole;5-bromo-1H-imidazole is sourced from PubChem (CID 167624331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).