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

C13H17BrN2O — CID 747318

IUPAC(2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
SMILESCCC1=N[C@@H](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/t12-/m1/s1
InChIKeySFRRKRUPUFUMEC-GFCCVEGCSA-N
MW297.20 g/mol
LogP3.78
Rot. Bonds2

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

(2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole (PubChem CID 747318) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
PubChem CID747318
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
SMILESCCC1=N[C@@H](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/t12-/m1/s1
InChIKeySFRRKRUPUFUMEC-GFCCVEGCSA-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 (2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
The IUPAC name of (2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole (CID 747318) is (2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
The canonical SMILES for (2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole is CCC1=N[C@@H](c2ccc(Br)cc2)N(O)C1(C)C.
What is the InChIKey of (2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
The InChIKey is SFRRKRUPUFUMEC-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
(2R)-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 (2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole is sourced from PubChem (CID 747318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).