5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole

C7H10BrFN2 — CID 84787716

IUPAC5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole
SMILESCn1c(Br)cnc1C(C)(C)F
InChIInChI=1S/C7H10BrFN2/c1-7(2,9)6-10-4-5(8)11(6)3/h4H,1-3H3
InChIKeyAAABCGAVQPDSRU-UHFFFAOYSA-N
MW221.07 g/mol
LogP2.39
Rot. Bonds1

About 5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole

5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole (PubChem CID 84787716) has the molecular formula C7H10BrFN2 and a molecular weight of 221.07 g/mol. Its IUPAC name is 5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole
PubChem CID84787716
Molecular FormulaC7H10BrFN2
Molecular Weight221.07 g/mol
Exact Mass220.00
IUPAC Name5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole
SMILESCn1c(Br)cnc1C(C)(C)F
InChIInChI=1S/C7H10BrFN2/c1-7(2,9)6-10-4-5(8)11(6)3/h4H,1-3H3
InChIKeyAAABCGAVQPDSRU-UHFFFAOYSA-N
XLogP2.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15617
n-Propylimidazole
CID 118785
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1-Butyl-2-methyl-1H-imidazole
CID 304622
1H-Imidazole, 1-ethenyl-2-methyl-
CID 76109
1-Butyl-2,3-dimethylimidazolium bromide
CID 2734241
N-Ethyl-2-methylimidazole
CID 519846
5-Bromo-1-methyl-1H-imidazole
CID 1515258
4-Bromo-1-methyl-1H-imidazole
CID 1277653
1-Ethyl-2,3-dimethylimidazolium bromide
CID 2734240
2,5-Dibromo-1-methyl-1H-imidazole
CID 2773360
2,4-Dibromo-1-methyl-1H-imidazole
CID 7204880

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole?
The IUPAC name of 5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole (CID 84787716) is 5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole.
What is the SMILES notation for 5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole?
The canonical SMILES for 5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole is Cn1c(Br)cnc1C(C)(C)F.
What is the InChIKey of 5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole?
The InChIKey is AAABCGAVQPDSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrFN2/c1-7(2,9)6-10-4-5(8)11(6)3/h4H,1-3H3.
What are the key properties of 5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole?
5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole has a molecular weight of 221.07 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-fluoropropan-2-yl)-1-methylimidazole is sourced from PubChem (CID 84787716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).