1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one

C14H15BrN2O2 — CID 80581316

IUPAC1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC(=O)c2ccccc2Br)c1=O
InChIInChI=1S/C14H15BrN2O2/c1-10(2)17-8-7-16(14(17)19)9-13(18)11-5-3-4-6-12(11)15/h3-8,10H,9H2,1-2H3
InChIKeyNYTQZIFZBHNBKS-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.88
Rot. Bonds4

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

1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one (PubChem CID 80581316) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
PubChem CID80581316
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC(=O)c2ccccc2Br)c1=O
InChIInChI=1S/C14H15BrN2O2/c1-10(2)17-8-7-16(14(17)19)9-13(18)11-5-3-4-6-12(11)15/h3-8,10H,9H2,1-2H3
InChIKeyNYTQZIFZBHNBKS-UHFFFAOYSA-N
XLogP2.88
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581489
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one
CID 80581218
1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one
CID 80581514
1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928036
1-[2-(4-iodophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581510
3-[2-(2-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 63312655
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581295
N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
CID 116625100
2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
CID 116624943
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 60708838
1-(3-methyl-2-oxopentyl)-3-propan-2-ylimidazol-2-one
CID 80581530
1-[2-(3-nitrophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80580193

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one (CID 80581316) is 1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CC(=O)c2ccccc2Br)c1=O.
What is the InChIKey of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is NYTQZIFZBHNBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-10(2)17-8-7-16(14(17)19)9-13(18)11-5-3-4-6-12(11)15/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one?
1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 323.19 g/mol, XLogP of 2.88, 4 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-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80581316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).