1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone

C11H8BrFN2O — CID 43248305

IUPAC1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H8BrFN2O/c12-8-3-7(4-9(13)5-8)10(16)6-11-14-1-2-15-11/h1-5H,6H2,(H,14,15)
InChIKeyHQHHMVUROQQPPA-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.74
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone

1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone (PubChem CID 43248305) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone
PubChem CID43248305
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H8BrFN2O/c12-8-3-7(4-9(13)5-8)10(16)6-11-14-1-2-15-11/h1-5H,6H2,(H,14,15)
InChIKeyHQHHMVUROQQPPA-UHFFFAOYSA-N
XLogP2.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone
CID 55160397
1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 81291362
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 107987148
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 66425414
2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43162758
1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869123
1-(3-bromo-5-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 61056068
3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107973143
1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63526829

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone (CID 43248305) is 1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone is O=C(Cc1ncc[nH]1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone?
The InChIKey is HQHHMVUROQQPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-8-3-7(4-9(13)5-8)10(16)6-11-14-1-2-15-11/h1-5H,6H2,(H,14,15).
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone?
1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone has a molecular weight of 283.10 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 43248305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).