2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole

C7H10BrFN2 — CID 84787717

IUPAC2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole
SMILESCc1[nH]c(Br)nc1C(C)(C)F
InChIInChI=1S/C7H10BrFN2/c1-4-5(7(2,3)9)11-6(8)10-4/h1-3H3,(H,10,11)
InChIKeyUQYHYRPVDXAKTO-UHFFFAOYSA-N
MW221.07 g/mol
LogP2.69
Rot. Bonds1

About 2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole

2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole (PubChem CID 84787717) has the molecular formula C7H10BrFN2 and a molecular weight of 221.07 g/mol. Its IUPAC name is 2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole
PubChem CID84787717
Molecular FormulaC7H10BrFN2
Molecular Weight221.07 g/mol
Exact Mass220.00
IUPAC Name2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole
SMILESCc1[nH]c(Br)nc1C(C)(C)F
InChIInChI=1S/C7H10BrFN2/c1-4-5(7(2,3)9)11-6(8)10-4/h1-3H3,(H,10,11)
InChIKeyUQYHYRPVDXAKTO-UHFFFAOYSA-N
XLogP2.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole?
The IUPAC name of 2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole (CID 84787717) is 2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole.
What is the SMILES notation for 2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole?
The canonical SMILES for 2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole is Cc1[nH]c(Br)nc1C(C)(C)F.
What is the InChIKey of 2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole?
The InChIKey is UQYHYRPVDXAKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrFN2/c1-4-5(7(2,3)9)11-6(8)10-4/h1-3H3,(H,10,11).
What are the key properties of 2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole?
2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole has a molecular weight of 221.07 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazole is sourced from PubChem (CID 84787717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).