1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole

C12H12BrFN2 — CID 171801244

IUPAC1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole
SMILESCC(c1ccc(Br)cc1)n1ccnc1CF
InChIInChI=1S/C12H12BrFN2/c1-9(10-2-4-11(13)5-3-10)16-7-6-15-12(16)8-14/h2-7,9H,8H2,1H3
InChIKeyFVBGNRLZQRBNCE-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.72
Rot. Bonds3

About 1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole

1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole (PubChem CID 171801244) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole
PubChem CID171801244
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole
SMILESCC(c1ccc(Br)cc1)n1ccnc1CF
InChIInChI=1S/C12H12BrFN2/c1-9(10-2-4-11(13)5-3-10)16-7-6-15-12(16)8-14/h2-7,9H,8H2,1H3
InChIKeyFVBGNRLZQRBNCE-UHFFFAOYSA-N
XLogP3.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol
CID 171801080
2-[(4-bromophenyl)methyl]-1-propan-2-ylimidazole
CID 82561826
1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine
CID 106566865
N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine
CID 106564867
4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole
CID 63389342
2-(fluoromethyl)-1-methylimidazole
CID 11679811
2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079
1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 60694668
4-[1-(4-bromophenyl)ethyl]-3-chloro-5-propyl-1,2,4-triazole
CID 63389344
N-[1-(4-bromophenyl)ethyl]-1-methylimidazol-2-amine
CID 62133310
(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 102946674
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole (CID 171801244) is 1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole is CC(c1ccc(Br)cc1)n1ccnc1CF.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole?
The InChIKey is FVBGNRLZQRBNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c1-9(10-2-4-11(13)5-3-10)16-7-6-15-12(16)8-14/h2-7,9H,8H2,1H3.
What are the key properties of 1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole?
1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole has a molecular weight of 283.14 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole is sourced from PubChem (CID 171801244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).