5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole

C10H3BrCl3F3N2OS — CID 23221831

IUPAC5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole
SMILESO=S(c1ncn(-c2c(Cl)cc(F)cc2Cl)c1Br)C(F)(F)Cl
InChIInChI=1S/C10H3BrCl3F3N2OS/c11-8-9(21(20)10(14,16)17)18-3-19(8)7-5(12)1-4(15)2-6(7)13/h1-3H
InChIKeyPFVAAIMLMLBOJN-UHFFFAOYSA-N
MW442.47 g/mol
LogP4.98
Rot. Bonds3

About 5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole

5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole (PubChem CID 23221831) has the molecular formula C10H3BrCl3F3N2OS and a molecular weight of 442.47 g/mol. Its IUPAC name is 5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole.

Molecular Properties

Compound Name5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole
PubChem CID23221831
Molecular FormulaC10H3BrCl3F3N2OS
Molecular Weight442.47 g/mol
Exact Mass439.82
IUPAC Name5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole
SMILESO=S(c1ncn(-c2c(Cl)cc(F)cc2Cl)c1Br)C(F)(F)Cl
InChIInChI=1S/C10H3BrCl3F3N2OS/c11-8-9(21(20)10(14,16)17)18-3-19(8)7-5(12)1-4(15)2-6(7)13/h1-3H
InChIKeyPFVAAIMLMLBOJN-UHFFFAOYSA-N
XLogP4.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole?
The IUPAC name of 5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole (CID 23221831) is 5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole.
What is the SMILES notation for 5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole?
The canonical SMILES for 5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole is O=S(c1ncn(-c2c(Cl)cc(F)cc2Cl)c1Br)C(F)(F)Cl.
What is the InChIKey of 5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole?
The InChIKey is PFVAAIMLMLBOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrCl3F3N2OS/c11-8-9(21(20)10(14,16)17)18-3-19(8)7-5(12)1-4(15)2-6(7)13/h1-3H.
What are the key properties of 5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole?
5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole has a molecular weight of 442.47 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[chloro(difluoro)methyl]sulfinyl-1-(2,6-dichloro-4-fluorophenyl)imidazole is sourced from PubChem (CID 23221831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).