4-bromo-1-ethyl-2-(phenoxymethyl)imidazole

C12H13BrN2O — CID 117187606

IUPAC4-bromo-1-ethyl-2-(phenoxymethyl)imidazole
SMILESCCn1cc(Br)nc1COc1ccccc1
InChIInChI=1S/C12H13BrN2O/c1-2-15-8-11(13)14-12(15)9-16-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3
InChIKeyVPSWVWCPJDPIHO-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.24
Rot. Bonds4

About 4-bromo-1-ethyl-2-(phenoxymethyl)imidazole

4-bromo-1-ethyl-2-(phenoxymethyl)imidazole (PubChem CID 117187606) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 4-bromo-1-ethyl-2-(phenoxymethyl)imidazole.

Molecular Properties

Compound Name4-bromo-1-ethyl-2-(phenoxymethyl)imidazole
PubChem CID117187606
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name4-bromo-1-ethyl-2-(phenoxymethyl)imidazole
SMILESCCn1cc(Br)nc1COc1ccccc1
InChIInChI=1S/C12H13BrN2O/c1-2-15-8-11(13)14-12(15)9-16-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3
InChIKeyVPSWVWCPJDPIHO-UHFFFAOYSA-N
XLogP3.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117188584
4-bromo-1-ethyl-2-phenylimidazole
CID 30032980
2-[(4-chlorophenoxy)methyl]-1-ethylimidazole-4-carboxylic acid
CID 117187768
4-ethyl-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CID 789079
N,4-diethyl-5-(phenoxymethyl)-1,2,4-triazol-3-amine
CID 112596730
2,4-dibromo-1-ethylimidazole
CID 90043708
1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole
CID 117187618
4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191974
5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole
CID 117188587
4-ethyl-3-methylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole
CID 862964
4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole
CID 117189904
4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191924

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-2-(phenoxymethyl)imidazole?
The IUPAC name of 4-bromo-1-ethyl-2-(phenoxymethyl)imidazole (CID 117187606) is 4-bromo-1-ethyl-2-(phenoxymethyl)imidazole.
What is the SMILES notation for 4-bromo-1-ethyl-2-(phenoxymethyl)imidazole?
The canonical SMILES for 4-bromo-1-ethyl-2-(phenoxymethyl)imidazole is CCn1cc(Br)nc1COc1ccccc1.
What is the InChIKey of 4-bromo-1-ethyl-2-(phenoxymethyl)imidazole?
The InChIKey is VPSWVWCPJDPIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-2-15-8-11(13)14-12(15)9-16-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3.
What are the key properties of 4-bromo-1-ethyl-2-(phenoxymethyl)imidazole?
4-bromo-1-ethyl-2-(phenoxymethyl)imidazole has a molecular weight of 281.15 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-2-(phenoxymethyl)imidazole is sourced from PubChem (CID 117187606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).