5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole

C13H15BrN2O — CID 117188587

IUPAC5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole
SMILESCC(C)n1c(Br)cnc1COc1ccccc1
InChIInChI=1S/C13H15BrN2O/c1-10(2)16-12(14)8-15-13(16)9-17-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKeyOJDFOFUGQDJEEF-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.81
Rot. Bonds4

About 5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole

5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole (PubChem CID 117188587) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole
PubChem CID117188587
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole
SMILESCC(C)n1c(Br)cnc1COc1ccccc1
InChIInChI=1S/C13H15BrN2O/c1-10(2)16-12(14)8-15-13(16)9-17-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKeyOJDFOFUGQDJEEF-UHFFFAOYSA-N
XLogP3.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 117188687
5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole
CID 117188585
5-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117188584
5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
CID 46310630
5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
CID 117188397
4-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117187606
5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole
CID 117188694
3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine
CID 626571
5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole
CID 117190849
N,4-diethyl-5-(phenoxymethyl)-1,2,4-triazol-3-amine
CID 112596730
3-(phenoxymethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine
CID 10861123
3-(phenoxymethyl)-4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole
CID 865870

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole?
The IUPAC name of 5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole (CID 117188587) is 5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole.
What is the SMILES notation for 5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole?
The canonical SMILES for 5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole is CC(C)n1c(Br)cnc1COc1ccccc1.
What is the InChIKey of 5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole?
The InChIKey is OJDFOFUGQDJEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-10(2)16-12(14)8-15-13(16)9-17-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole?
5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole has a molecular weight of 295.18 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole is sourced from PubChem (CID 117188587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).