1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone

C10H9BrN2O2 — CID 115784385

IUPAC1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H9BrN2O2/c1-13-5-4-12-10(13)6-7(14)8-2-3-9(11)15-8/h2-5H,6H2,1H3
InChIKeyMQNSSHTXNNDZDV-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.20
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone

1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 115784385) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID115784385
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H9BrN2O2/c1-13-5-4-12-10(13)6-7(14)8-2-3-9(11)15-8/h2-5H,6H2,1H3
InChIKeyMQNSSHTXNNDZDV-UHFFFAOYSA-N
XLogP2.20
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 112731562
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107944629
1-(5-bromofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965218
2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
CID 112731558
1-(5-bromofuran-2-yl)propan-1-one
CID 14547080
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063536
1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115580335
2-(1-methylimidazol-2-yl)-1-pyridazin-4-ylethanone
CID 105116274
2-(1-methylimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 12049984
2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529672
1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784458
2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 115580311

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone (CID 115784385) is 1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1CC(=O)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is MQNSSHTXNNDZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-13-5-4-12-10(13)6-7(14)8-2-3-9(11)15-8/h2-5H,6H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 269.10 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).