2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole

C4H5BrF2N2 — CID 141167079

IUPAC2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole
SMILESFC(F)N1CCN=C1Br
InChIInChI=1S/C4H5BrF2N2/c5-3-8-1-2-9(3)4(6)7/h4H,1-2H2
InChIKeyWYSMXOXRKBAZKM-UHFFFAOYSA-N
MW199.00 g/mol
LogP1.28
Rot. Bonds1

About 2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole

2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole (PubChem CID 141167079) has the molecular formula C4H5BrF2N2 and a molecular weight of 199.00 g/mol. Its IUPAC name is 2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole
PubChem CID141167079
Molecular FormulaC4H5BrF2N2
Molecular Weight199.00 g/mol
Exact Mass197.96
IUPAC Name2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole
SMILESFC(F)N1CCN=C1Br
InChIInChI=1S/C4H5BrF2N2/c5-3-8-1-2-9(3)4(6)7/h4H,1-2H2
InChIKeyWYSMXOXRKBAZKM-UHFFFAOYSA-N
XLogP1.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.00
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole (CID 141167079) is 2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole is FC(F)N1CCN=C1Br.
What is the InChIKey of 2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole?
The InChIKey is WYSMXOXRKBAZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrF2N2/c5-3-8-1-2-9(3)4(6)7/h4H,1-2H2.
What are the key properties of 2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole?
2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole has a molecular weight of 199.00 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(difluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 141167079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).