2-bromo-1-(2-methylpropyl)imidazole

C7H11BrN2 — CID 58719811

IUPAC2-bromo-1-(2-methylpropyl)imidazole
SMILESCC(C)Cn1ccnc1Br
InChIInChI=1S/C7H11BrN2/c1-6(2)5-10-4-3-9-7(10)8/h3-4,6H,5H2,1-2H3
InChIKeySJZPNUKOXYWYMA-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.30
Rot. Bonds2

About 2-bromo-1-(2-methylpropyl)imidazole

2-bromo-1-(2-methylpropyl)imidazole (PubChem CID 58719811) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 2-bromo-1-(2-methylpropyl)imidazole.

Molecular Properties

Compound Name2-bromo-1-(2-methylpropyl)imidazole
PubChem CID58719811
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name2-bromo-1-(2-methylpropyl)imidazole
SMILESCC(C)Cn1ccnc1Br
InChIInChI=1S/C7H11BrN2/c1-6(2)5-10-4-3-9-7(10)8/h3-4,6H,5H2,1-2H3
InChIKeySJZPNUKOXYWYMA-UHFFFAOYSA-N
XLogP2.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxypropyl)-1-(2-methylpropyl)imidazole
CID 54499010
2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole
CID 167461569
3-[2-bromoethyl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80676762
1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111818001
1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 63810541
2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine
CID 162679044
3-(4-bromo-3,5-dimethylphenoxy)-1-(2-methylpropyl)pyrazin-2-one
CID 103525411
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106569127
N-(dicyclopropylmethyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106568922
N-(2-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106583435
3-(3-hydroxypropylsulfanyl)-1-(2-methylpropyl)pyrazin-2-one
CID 66113162
2-methyl-1-(2-methylpropyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 111772918

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-methylpropyl)imidazole?
The IUPAC name of 2-bromo-1-(2-methylpropyl)imidazole (CID 58719811) is 2-bromo-1-(2-methylpropyl)imidazole.
What is the SMILES notation for 2-bromo-1-(2-methylpropyl)imidazole?
The canonical SMILES for 2-bromo-1-(2-methylpropyl)imidazole is CC(C)Cn1ccnc1Br.
What is the InChIKey of 2-bromo-1-(2-methylpropyl)imidazole?
The InChIKey is SJZPNUKOXYWYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2/c1-6(2)5-10-4-3-9-7(10)8/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-bromo-1-(2-methylpropyl)imidazole?
2-bromo-1-(2-methylpropyl)imidazole has a molecular weight of 203.08 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-methylpropyl)imidazole is sourced from PubChem (CID 58719811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).