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

C12H13BrN2O — CID 117188584

IUPAC5-bromo-1-ethyl-2-(phenoxymethyl)imidazole
SMILESCCn1c(Br)cnc1COc1ccccc1
InChIInChI=1S/C12H13BrN2O/c1-2-15-11(13)8-14-12(15)9-16-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3
InChIKeySZFQLHCMEKJJSN-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.24
Rot. Bonds4

About 5-bromo-1-ethyl-2-(phenoxymethyl)imidazole

5-bromo-1-ethyl-2-(phenoxymethyl)imidazole (PubChem CID 117188584) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2-(phenoxymethyl)imidazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-2-(phenoxymethyl)imidazole
PubChem CID117188584
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name5-bromo-1-ethyl-2-(phenoxymethyl)imidazole
SMILESCCn1c(Br)cnc1COc1ccccc1
InChIInChI=1S/C12H13BrN2O/c1-2-15-11(13)8-14-12(15)9-16-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3
InChIKeySZFQLHCMEKJJSN-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

Analyze 5-bromo-1-ethyl-2-(phenoxymethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole
CID 117188694
5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole
CID 117188587
4-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117187606
4-ethyl-3-methylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole
CID 862964
4-ethyl-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CID 789079
5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole
CID 117188585
N,4-diethyl-5-(phenoxymethyl)-1,2,4-triazol-3-amine
CID 112596730
2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole
CID 117188596
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
CID 117188645
5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole
CID 117190732
5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
CID 117188397

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2-(phenoxymethyl)imidazole?
The IUPAC name of 5-bromo-1-ethyl-2-(phenoxymethyl)imidazole (CID 117188584) is 5-bromo-1-ethyl-2-(phenoxymethyl)imidazole.
What is the SMILES notation for 5-bromo-1-ethyl-2-(phenoxymethyl)imidazole?
The canonical SMILES for 5-bromo-1-ethyl-2-(phenoxymethyl)imidazole is CCn1c(Br)cnc1COc1ccccc1.
What is the InChIKey of 5-bromo-1-ethyl-2-(phenoxymethyl)imidazole?
The InChIKey is SZFQLHCMEKJJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-2-15-11(13)8-14-12(15)9-16-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3.
What are the key properties of 5-bromo-1-ethyl-2-(phenoxymethyl)imidazole?
5-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 5-bromo-1-ethyl-2-(phenoxymethyl)imidazole is sourced from PubChem (CID 117188584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).