5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole

C12H12BrFN2O — CID 66153948

IUPAC5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole
SMILESCCn1cncc1COc1ccc(Br)c(F)c1
InChIInChI=1S/C12H12BrFN2O/c1-2-16-8-15-6-9(16)7-17-10-3-4-11(13)12(14)5-10/h3-6,8H,2,7H2,1H3
InChIKeyXTIRHCOLEKACIQ-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.38
Rot. Bonds4

About 5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole

5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole (PubChem CID 66153948) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole.

Molecular Properties

Compound Name5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole
PubChem CID66153948
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole
SMILESCCn1cncc1COc1ccc(Br)c(F)c1
InChIInChI=1S/C12H12BrFN2O/c1-2-16-8-15-6-9(16)7-17-10-3-4-11(13)12(14)5-10/h3-6,8H,2,7H2,1H3
InChIKeyXTIRHCOLEKACIQ-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-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole
CID 66152904
3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine
CID 66153755
(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66152982
1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one
CID 113323069
4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide
CID 82921640
6-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 66154345
N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66153745
4-[(3-ethylimidazol-4-yl)methoxy]-3,5-difluorobenzoic acid
CID 79887466
[2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608173
N-[[5-[(3-ethylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788513
[2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine
CID 107695029
2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 66154912

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole?
The IUPAC name of 5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole (CID 66153948) is 5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole.
What is the SMILES notation for 5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole?
The canonical SMILES for 5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole is CCn1cncc1COc1ccc(Br)c(F)c1.
What is the InChIKey of 5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole?
The InChIKey is XTIRHCOLEKACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-2-16-8-15-6-9(16)7-17-10-3-4-11(13)12(14)5-10/h3-6,8H,2,7H2,1H3.
What are the key properties of 5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole?
5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole 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-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole is sourced from PubChem (CID 66153948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).