4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole

C10H14Br2N2 — CID 130138834

IUPAC4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole
SMILESCC(C)c1nc(Br)c(Br)n1C1CCC1
InChIInChI=1S/C10H14Br2N2/c1-6(2)10-13-8(11)9(12)14(10)7-4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKeyVBMAFTCWJQEHJR-UHFFFAOYSA-N
MW322.04 g/mol
LogP4.26
Rot. Bonds2

About 4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole

4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole (PubChem CID 130138834) has the molecular formula C10H14Br2N2 and a molecular weight of 322.04 g/mol. Its IUPAC name is 4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole
PubChem CID130138834
Molecular FormulaC10H14Br2N2
Molecular Weight322.04 g/mol
Exact Mass319.95
IUPAC Name4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole
SMILESCC(C)c1nc(Br)c(Br)n1C1CCC1
InChIInChI=1S/C10H14Br2N2/c1-6(2)10-13-8(11)9(12)14(10)7-4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKeyVBMAFTCWJQEHJR-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.04
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole?
The IUPAC name of 4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole (CID 130138834) is 4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole.
What is the SMILES notation for 4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole?
The canonical SMILES for 4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole is CC(C)c1nc(Br)c(Br)n1C1CCC1.
What is the InChIKey of 4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole?
The InChIKey is VBMAFTCWJQEHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2/c1-6(2)10-13-8(11)9(12)14(10)7-4-3-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole?
4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole has a molecular weight of 322.04 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-cyclobutyl-2-propan-2-ylimidazole is sourced from PubChem (CID 130138834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).