N-bromodifluoromethyl-2-methylimidazole

C5H5BrF2N2 — CID 129862249

IUPAC1-bromo-4-(difluoromethyl)-2-methylimidazole
SMILESCC1=NC(=CN1Br)C(F)F
InChIInChI=1S/C5H5BrF2N2/c1-3-9-4(5(7)8)2-10(3)6/h2,5H,1H3
InChIKeyVKRGYRGTFLOBBD-UHFFFAOYSA-N
MW211.01 g/mol
LogP2.20
Rot. Bonds1

About N-bromodifluoromethyl-2-methylimidazole

N-bromodifluoromethyl-2-methylimidazole (PubChem CID 129862249) has the molecular formula C5H5BrF2N2 and a molecular weight of 211.01 g/mol. Its IUPAC name is 1-bromo-4-(difluoromethyl)-2-methylimidazole.

Molecular Properties

Compound NameN-bromodifluoromethyl-2-methylimidazole
PubChem CID129862249
Molecular FormulaC5H5BrF2N2
Molecular Weight211.01 g/mol
Exact Mass209.96
IUPAC Name1-bromo-4-(difluoromethyl)-2-methylimidazole
SMILESCC1=NC(=CN1Br)C(F)F
InChIInChI=1S/C5H5BrF2N2/c1-3-9-4(5(7)8)2-10(3)6/h2,5H,1H3
InChIKeyVKRGYRGTFLOBBD-UHFFFAOYSA-N
XLogP2.20
TPSA17.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity122

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
CID 90327
2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
5-Methyl-2-(trifluoromethyl)-1H-imidazole
CID 591585
1-Butyl-5-methyl-1H-imidazole
CID 426631
1H-Imidazole, 1-butyl-4-methyl
CID 529330
2-Bromo-1,5-dimethyl-1H-imidazole
CID 7204876
2-Bromo-1,4-dimethyl-1H-imidazole
CID 7204877
2-chloro-1,5-dimethyl-1H-imidazole
CID 60069416
5-ethynyl-1,2-dimethyl-1H-imidazole
CID 88852785
1-methyl-4-(trifluoromethyl)-1H-imidazol-2-amine
CID 138991202

Frequently Asked Questions

What is the IUPAC name of N-bromodifluoromethyl-2-methylimidazole?
The IUPAC name of N-bromodifluoromethyl-2-methylimidazole (CID 129862249) is 1-bromo-4-(difluoromethyl)-2-methylimidazole.
What is the SMILES notation for N-bromodifluoromethyl-2-methylimidazole?
The canonical SMILES for N-bromodifluoromethyl-2-methylimidazole is CC1=NC(=CN1Br)C(F)F.
What is the InChIKey of N-bromodifluoromethyl-2-methylimidazole?
The InChIKey is VKRGYRGTFLOBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF2N2/c1-3-9-4(5(7)8)2-10(3)6/h2,5H,1H3.
What are the key properties of N-bromodifluoromethyl-2-methylimidazole?
N-bromodifluoromethyl-2-methylimidazole has a molecular weight of 211.01 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromodifluoromethyl-2-methylimidazole is sourced from PubChem (CID 129862249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).