1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone

C12H10Br2N2O — CID 107944629

IUPAC1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O/c1-16-5-4-15-12(16)7-11(17)9-3-2-8(13)6-10(9)14/h2-6H,7H2,1H3
InChIKeyDTDLIVMSJCYSDU-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.37
Rot. Bonds3

About 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone

1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 107944629) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID107944629
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O/c1-16-5-4-15-12(16)7-11(17)9-3-2-8(13)6-10(9)14/h2-6H,7H2,1H3
InChIKeyDTDLIVMSJCYSDU-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115580335
1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784443
1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 106790241
1-(5-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811684
1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 112731562
1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784385
1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784716
2-amino-4-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 79721607
1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529457
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116318
1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116343

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone (CID 107944629) is 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1CC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is DTDLIVMSJCYSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c1-16-5-4-15-12(16)7-11(17)9-3-2-8(13)6-10(9)14/h2-6H,7H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone?
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 358.03 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 107944629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).