5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole

C12H12BrFN2O — CID 117188694

IUPAC5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole
SMILESCCn1c(Br)cnc1COc1ccc(F)cc1
InChIInChI=1S/C12H12BrFN2O/c1-2-16-11(13)7-15-12(16)8-17-10-5-3-9(14)4-6-10/h3-7H,2,8H2,1H3
InChIKeyUCVOMMCOLZLRLV-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.38
Rot. Bonds4

About 5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole

5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole (PubChem CID 117188694) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole
PubChem CID117188694
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole
SMILESCCn1c(Br)cnc1COc1ccc(F)cc1
InChIInChI=1S/C12H12BrFN2O/c1-2-16-11(13)7-15-12(16)8-17-10-5-3-9(14)4-6-10/h3-7H,2,8H2,1H3
InChIKeyUCVOMMCOLZLRLV-UHFFFAOYSA-N
XLogP3.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117188584
5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole
CID 60667995
3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
CID 117188645
2-[[4-ethyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6468413
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 117188687
5-bromo-1-ethyl-2-(2-fluorophenoxy)imidazole
CID 117190664
2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole
CID 117188596
4-ethyl-3-[(4-fluorophenoxy)methyl]-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 19633599
5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole
CID 117188587
N-(4-chlorophenyl)-2-[[4-ethyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19633639
1-ethyl-2-[(4-methylsulfonylphenoxy)methyl]-5-nitroimidazole
CID 21429106

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole?
The IUPAC name of 5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole (CID 117188694) is 5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole.
What is the SMILES notation for 5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole?
The canonical SMILES for 5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole is CCn1c(Br)cnc1COc1ccc(F)cc1.
What is the InChIKey of 5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole?
The InChIKey is UCVOMMCOLZLRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-2-16-11(13)7-15-12(16)8-17-10-5-3-9(14)4-6-10/h3-7H,2,8H2,1H3.
What are the key properties of 5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole?
5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole has a molecular weight of 299.14 g/mol, XLogP of 3.38, 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-[(4-fluorophenoxy)methyl]imidazole is sourced from PubChem (CID 117188694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).