4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole

C8H8Br2F2N2 — CID 177241353

IUPAC4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole
SMILESCn1c(C2CC(F)(F)C2)nc(Br)c1Br
InChIInChI=1S/C8H8Br2F2N2/c1-14-6(10)5(9)13-7(14)4-2-8(11,12)3-4/h4H,2-3H2,1H3
InChIKeyDNOSIDBLJGHEAN-UHFFFAOYSA-N
MW329.97 g/mol
LogP3.46
Rot. Bonds1

About 4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole

4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole (PubChem CID 177241353) has the molecular formula C8H8Br2F2N2 and a molecular weight of 329.97 g/mol. Its IUPAC name is 4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole.

Molecular Properties

Compound Name4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole
PubChem CID177241353
Molecular FormulaC8H8Br2F2N2
Molecular Weight329.97 g/mol
Exact Mass327.90
IUPAC Name4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole
SMILESCn1c(C2CC(F)(F)C2)nc(Br)c1Br
InChIInChI=1S/C8H8Br2F2N2/c1-14-6(10)5(9)13-7(14)4-2-8(11,12)3-4/h4H,2-3H2,1H3
InChIKeyDNOSIDBLJGHEAN-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.97
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole?
The IUPAC name of 4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole (CID 177241353) is 4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole.
What is the SMILES notation for 4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole?
The canonical SMILES for 4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole is Cn1c(C2CC(F)(F)C2)nc(Br)c1Br.
What is the InChIKey of 4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole?
The InChIKey is DNOSIDBLJGHEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2F2N2/c1-14-6(10)5(9)13-7(14)4-2-8(11,12)3-4/h4H,2-3H2,1H3.
What are the key properties of 4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole?
4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole has a molecular weight of 329.97 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole is sourced from PubChem (CID 177241353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).