4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole

C11H7Br2F3N2O — CID 114204826

IUPAC4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole
SMILESFC(F)(F)Oc1ccc(-n2cnc(CBr)c2)cc1Br
InChIInChI=1S/C11H7Br2F3N2O/c12-4-7-5-18(6-17-7)8-1-2-10(9(13)3-8)19-11(14,15)16/h1-3,5-6H,4H2
InChIKeyHFZQURKORGDQMQ-UHFFFAOYSA-N
MW399.99 g/mol
LogP4.43
Rot. Bonds3

About 4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole

4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole (PubChem CID 114204826) has the molecular formula C11H7Br2F3N2O and a molecular weight of 399.99 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole
PubChem CID114204826
Molecular FormulaC11H7Br2F3N2O
Molecular Weight399.99 g/mol
Exact Mass397.89
IUPAC Name4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole
SMILESFC(F)(F)Oc1ccc(-n2cnc(CBr)c2)cc1Br
InChIInChI=1S/C11H7Br2F3N2O/c12-4-7-5-18(6-17-7)8-1-2-10(9(13)3-8)19-11(14,15)16/h1-3,5-6H,4H2
InChIKeyHFZQURKORGDQMQ-UHFFFAOYSA-N
XLogP4.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.99
LogP ≤ 54.43
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 4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole?
The IUPAC name of 4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole (CID 114204826) is 4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole.
What is the SMILES notation for 4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole?
The canonical SMILES for 4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole is FC(F)(F)Oc1ccc(-n2cnc(CBr)c2)cc1Br.
What is the InChIKey of 4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole?
The InChIKey is HFZQURKORGDQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2F3N2O/c12-4-7-5-18(6-17-7)8-1-2-10(9(13)3-8)19-11(14,15)16/h1-3,5-6H,4H2.
What are the key properties of 4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole?
4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole has a molecular weight of 399.99 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole is sourced from PubChem (CID 114204826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).