1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole

C8H11BrN2 — CID 95768250

IUPAC1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole
SMILESC=C(Br)Cn1cnc(C)c1C
InChIInChI=1S/C8H11BrN2/c1-6(9)4-11-5-10-7(2)8(11)3/h5H,1,4H2,2-3H3
InChIKeyKXAYROKBPPESBM-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.41
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole

1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole (PubChem CID 95768250) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole
PubChem CID95768250
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole
SMILESC=C(Br)Cn1cnc(C)c1C
InChIInChI=1S/C8H11BrN2/c1-6(9)4-11-5-10-7(2)8(11)3/h5H,1,4H2,2-3H3
InChIKeyKXAYROKBPPESBM-UHFFFAOYSA-N
XLogP2.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole?
The IUPAC name of 1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole (CID 95768250) is 1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole is C=C(Br)Cn1cnc(C)c1C.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole?
The InChIKey is KXAYROKBPPESBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-6(9)4-11-5-10-7(2)8(11)3/h5H,1,4H2,2-3H3.
What are the key properties of 1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole?
1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole has a molecular weight of 215.09 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-4,5-dimethylimidazole is sourced from PubChem (CID 95768250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).