5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole

C16H21BrN2O — CID 115402091

IUPAC5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole
SMILESCC(C)c1cc(Br)ccc1OCc1cncn1C(C)C
InChIInChI=1S/C16H21BrN2O/c1-11(2)15-7-13(17)5-6-16(15)20-9-14-8-18-10-19(14)12(3)4/h5-8,10-12H,9H2,1-4H3
InChIKeyOVGPMYQDOHWQMG-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.93
Rot. Bonds5

About 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole

5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole (PubChem CID 115402091) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole
PubChem CID115402091
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole
SMILESCC(C)c1cc(Br)ccc1OCc1cncn1C(C)C
InChIInChI=1S/C16H21BrN2O/c1-11(2)15-7-13(17)5-6-16(15)20-9-14-8-18-10-19(14)12(3)4/h5-8,10-12H,9H2,1-4H3
InChIKeyOVGPMYQDOHWQMG-UHFFFAOYSA-N
XLogP4.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66152678
5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 107284312
5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole
CID 66154990
5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154784
5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66152313
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine
CID 113302926
(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 79027030
N-[[5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66153433
(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 82002809
3-methoxy-4-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154401
2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol
CID 66154225

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole?
The IUPAC name of 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole (CID 115402091) is 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole.
What is the SMILES notation for 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole?
The canonical SMILES for 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole is CC(C)c1cc(Br)ccc1OCc1cncn1C(C)C.
What is the InChIKey of 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole?
The InChIKey is OVGPMYQDOHWQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-11(2)15-7-13(17)5-6-16(15)20-9-14-8-18-10-19(14)12(3)4/h5-8,10-12H,9H2,1-4H3.
What are the key properties of 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole?
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole has a molecular weight of 337.26 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole is sourced from PubChem (CID 115402091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).