2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole

C13H17BrN2O — CID 2843704

IUPAC2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
SMILESCCC1=NC(c2ccc(Br)cc2)N(O)C1(C)C
InChIInChI=1S/C13H17BrN2O/c1-4-11-13(2,3)16(17)12(15-11)9-5-7-10(14)8-6-9/h5-8,12,17H,4H2,1-3H3
InChIKeySFRRKRUPUFUMEC-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.78
Rot. Bonds2

About 2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole

2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole (PubChem CID 2843704) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
PubChem CID2843704
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
SMILESCCC1=NC(c2ccc(Br)cc2)N(O)C1(C)C
InChIInChI=1S/C13H17BrN2O/c1-4-11-13(2,3)16(17)12(15-11)9-5-7-10(14)8-6-9/h5-8,12,17H,4H2,1-3H3
InChIKeySFRRKRUPUFUMEC-UHFFFAOYSA-N
XLogP3.78
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
The IUPAC name of 2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole (CID 2843704) is 2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole.
What is the SMILES notation for 2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
The canonical SMILES for 2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole is CCC1=NC(c2ccc(Br)cc2)N(O)C1(C)C.
What is the InChIKey of 2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
The InChIKey is SFRRKRUPUFUMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-4-11-13(2,3)16(17)12(15-11)9-5-7-10(14)8-6-9/h5-8,12,17H,4H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole has a molecular weight of 297.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole is sourced from PubChem (CID 2843704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).