5-bromo-2-propan-2-yl-1H-imidazole

C6H9BrN2 — CID 51072286

IUPAC5-bromo-2-propan-2-yl-1H-imidazole
SMILESCC(C)c1ncc(Br)[nH]1
InChIInChI=1S/C6H9BrN2/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3,(H,8,9)
InChIKeyQAXBJSJPKAAQRJ-UHFFFAOYSA-N
MW189.06 g/mol
LogP2.30
Rot. Bonds1

About 5-bromo-2-propan-2-yl-1H-imidazole

5-bromo-2-propan-2-yl-1H-imidazole (PubChem CID 51072286) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 5-bromo-2-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-bromo-2-propan-2-yl-1H-imidazole
PubChem CID51072286
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name5-bromo-2-propan-2-yl-1H-imidazole
SMILESCC(C)c1ncc(Br)[nH]1
InChIInChI=1S/C6H9BrN2/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3,(H,8,9)
InChIKeyQAXBJSJPKAAQRJ-UHFFFAOYSA-N
XLogP2.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-yl-1H-imidazole?
The IUPAC name of 5-bromo-2-propan-2-yl-1H-imidazole (CID 51072286) is 5-bromo-2-propan-2-yl-1H-imidazole.
What is the SMILES notation for 5-bromo-2-propan-2-yl-1H-imidazole?
The canonical SMILES for 5-bromo-2-propan-2-yl-1H-imidazole is CC(C)c1ncc(Br)[nH]1.
What is the InChIKey of 5-bromo-2-propan-2-yl-1H-imidazole?
The InChIKey is QAXBJSJPKAAQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3,(H,8,9).
What are the key properties of 5-bromo-2-propan-2-yl-1H-imidazole?
5-bromo-2-propan-2-yl-1H-imidazole has a molecular weight of 189.06 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-yl-1H-imidazole is sourced from PubChem (CID 51072286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).