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

C10H9BrN2OS — CID 112731562

IUPAC1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1ccc(Br)s1
InChIInChI=1S/C10H9BrN2OS/c1-13-5-4-12-10(13)6-7(14)8-2-3-9(11)15-8/h2-5H,6H2,1H3
InChIKeyAGEIZUVIZWSTNC-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.67
Rot. Bonds3

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

1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 112731562) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID112731562
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1ccc(Br)s1
InChIInChI=1S/C10H9BrN2OS/c1-13-5-4-12-10(13)6-7(14)8-2-3-9(11)15-8/h2-5H,6H2,1H3
InChIKeyAGEIZUVIZWSTNC-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784458
5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 63236222
1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone
CID 116833033
5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide
CID 55789132
1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784385
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107944629
2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
CID 112731558
1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115580335
2-(1-methylimidazol-2-yl)-1-pyridazin-4-ylethanone
CID 105116274
1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784791
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784450
2-(1-methylimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 12049984

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone (CID 112731562) is 1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1CC(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is AGEIZUVIZWSTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/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-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 285.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 112731562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).