4-bromo-1-propan-2-ylimidazole

C6H9BrN2 — CID 22147996

IUPAC4-bromo-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(Br)c1
InChIInChI=1S/C6H9BrN2/c1-5(2)9-3-6(7)8-4-9/h3-5H,1-2H3
InChIKeyFUKIENGJPGMFBT-UHFFFAOYSA-N
MW189.06 g/mol
LogP2.23
Rot. Bonds1

About 4-bromo-1-propan-2-ylimidazole

4-bromo-1-propan-2-ylimidazole (PubChem CID 22147996) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 4-bromo-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4-bromo-1-propan-2-ylimidazole
PubChem CID22147996
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name4-bromo-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(Br)c1
InChIInChI=1S/C6H9BrN2/c1-5(2)9-3-6(7)8-4-9/h3-5H,1-2H3
InChIKeyFUKIENGJPGMFBT-UHFFFAOYSA-N
XLogP2.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-ylimidazole?
The IUPAC name of 4-bromo-1-propan-2-ylimidazole (CID 22147996) is 4-bromo-1-propan-2-ylimidazole.
What is the SMILES notation for 4-bromo-1-propan-2-ylimidazole?
The canonical SMILES for 4-bromo-1-propan-2-ylimidazole is CC(C)n1cnc(Br)c1.
What is the InChIKey of 4-bromo-1-propan-2-ylimidazole?
The InChIKey is FUKIENGJPGMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-5(2)9-3-6(7)8-4-9/h3-5H,1-2H3.
What are the key properties of 4-bromo-1-propan-2-ylimidazole?
4-bromo-1-propan-2-ylimidazole has a molecular weight of 189.06 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-ylimidazole is sourced from PubChem (CID 22147996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).