2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole

C13H17BrN2O — CID 24881527

IUPAC2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole
SMILESCC1(C)N=C(c2ccc(Br)cc2)N(O)C1(C)C
InChIInChI=1S/C13H17BrN2O/c1-12(2)13(3,4)16(17)11(15-12)9-5-7-10(14)8-6-9/h5-8,17H,1-4H3
InChIKeyBTBZMJRETYBPFQ-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.46
Rot. Bonds1

About 2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole

2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole (PubChem CID 24881527) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole
PubChem CID24881527
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole
SMILESCC1(C)N=C(c2ccc(Br)cc2)N(O)C1(C)C
InChIInChI=1S/C13H17BrN2O/c1-12(2)13(3,4)16(17)11(15-12)9-5-7-10(14)8-6-9/h5-8,17H,1-4H3
InChIKeyBTBZMJRETYBPFQ-UHFFFAOYSA-N
XLogP3.46
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole (CID 24881527) is 2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole is CC1(C)N=C(c2ccc(Br)cc2)N(O)C1(C)C.
What is the InChIKey of 2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole?
The InChIKey is BTBZMJRETYBPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-12(2)13(3,4)16(17)11(15-12)9-5-7-10(14)8-6-9/h5-8,17H,1-4H3.
What are the key properties of 2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole?
2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole has a molecular weight of 297.20 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole is sourced from PubChem (CID 24881527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).