1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone

C11H8BrClN2O — CID 107987148

IUPAC1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H8BrClN2O/c12-9-5-7(13)1-2-8(9)10(16)6-11-14-3-4-15-11/h1-5H,6H2,(H,14,15)
InChIKeyXKOYJVQNLAQRDY-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.25
Rot. Bonds3

About 1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone

1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone (PubChem CID 107987148) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
PubChem CID107987148
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H8BrClN2O/c12-9-5-7(13)1-2-8(9)10(16)6-11-14-3-4-15-11/h1-5H,6H2,(H,14,15)
InChIKeyXKOYJVQNLAQRDY-UHFFFAOYSA-N
XLogP3.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 81291362
1-(2-bromo-4-chlorophenyl)-2-chloroethanone
CID 103693977
1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone
CID 157216536
2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole
CID 107991767
1-(5-chlorofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone
CID 106683771
2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride
CID 50988132
1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone
CID 114024595
2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone
CID 55160397
2-(1H-imidazol-2-yl)-1-(2-methylfuran-3-yl)ethanone
CID 43463678
1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 43248305
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone (CID 107987148) is 1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone is O=C(Cc1ncc[nH]1)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone?
The InChIKey is XKOYJVQNLAQRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-9-5-7(13)1-2-8(9)10(16)6-11-14-3-4-15-11/h1-5H,6H2,(H,14,15).
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone?
1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone has a molecular weight of 299.56 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 107987148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).