1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one

C12H11BrN2O2 — CID 80581218

IUPAC1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one
SMILESCn1ccn(CC(=O)c2ccccc2Br)c1=O
InChIInChI=1S/C12H11BrN2O2/c1-14-6-7-15(12(14)17)8-11(16)9-4-2-3-5-10(9)13/h2-7H,8H2,1H3
InChIKeyVAMMIFLMJSHBRK-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.83
Rot. Bonds3

About 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one

1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one (PubChem CID 80581218) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one
PubChem CID80581218
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one
SMILESCn1ccn(CC(=O)c2ccccc2Br)c1=O
InChIInChI=1S/C12H11BrN2O2/c1-14-6-7-15(12(14)17)8-11(16)9-4-2-3-5-10(9)13/h2-7H,8H2,1H3
InChIKeyVAMMIFLMJSHBRK-UHFFFAOYSA-N
XLogP1.83
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928036
1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581316
1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one
CID 80581514
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 60708838
3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 63312655
1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529457
1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one
CID 80581416
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
N,N-dimethyl-2-(3-methyl-2-oxoimidazol-1-yl)acetamide
CID 116624464
1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80580045
1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581489
2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
CID 80582908

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one (CID 80581218) is 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one is Cn1ccn(CC(=O)c2ccccc2Br)c1=O.
What is the InChIKey of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one?
The InChIKey is VAMMIFLMJSHBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-14-6-7-15(12(14)17)8-11(16)9-4-2-3-5-10(9)13/h2-7H,8H2,1H3.
What are the key properties of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one?
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one has a molecular weight of 295.14 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80581218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).