1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride

C5H10BrClF2N2 — CID 175693926

IUPAC1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride
SMILESBr.CN1C=CN(C(F)F)C1.Cl
InChIInChI=1S/C5H8F2N2.BrH.ClH/c1-8-2-3-9(4-8)5(6)7;;/h2-3,5H,4H2,1H3;2*1H
InChIKeyRQFZGBSPFPPBRM-UHFFFAOYSA-N
MW251.50 g/mol
LogP1.88
Rot. Bonds1

About 1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride

1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride (PubChem CID 175693926) has the molecular formula C5H10BrClF2N2 and a molecular weight of 251.50 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride
PubChem CID175693926
Molecular FormulaC5H10BrClF2N2
Molecular Weight251.50 g/mol
Exact Mass249.97
IUPAC Name1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride
SMILESBr.CN1C=CN(C(F)F)C1.Cl
InChIInChI=1S/C5H8F2N2.BrH.ClH/c1-8-2-3-9(4-8)5(6)7;;/h2-3,5H,4H2,1H3;2*1H
InChIKeyRQFZGBSPFPPBRM-UHFFFAOYSA-N
XLogP1.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.50
LogP ≤ 51.88
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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Related Compounds

1-methyl-3-(1,2,2-trifluoroethyl)-2H-imidazole
CID 175549515
1,3-dimethyl-2H-imidazole hexafluorophosphate
CID 158907533
1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate
CID 175390691
1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole
CID 174572332
methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate
CID 123407176
1-[1,20-diiodo-20-(3-methyl-2H-imidazol-1-yl)icosyl]-3-methyl-2H-imidazole
CID 67442015
1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide
CID 171376624
bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate
CID 174589905
dimethyl carbonate;1,3-dimethyl-2H-imidazole
CID 175750899
3-(difluoromethyl)-1,2-dihydroimidazole
CID 175316138
3-methyl-2H-imidazol-1-amine;hydrobromide
CID 175511676
1-methyl-3-octadecan-8-yl-2H-imidazole
CID 174675256

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride?
The IUPAC name of 1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride (CID 175693926) is 1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride.
What is the SMILES notation for 1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride?
The canonical SMILES for 1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride is Br.CN1C=CN(C(F)F)C1.Cl.
What is the InChIKey of 1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride?
The InChIKey is RQFZGBSPFPPBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2.BrH.ClH/c1-8-2-3-9(4-8)5(6)7;;/h2-3,5H,4H2,1H3;2*1H.
What are the key properties of 1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride?
1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride has a molecular weight of 251.50 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride is sourced from PubChem (CID 175693926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).