4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one

C13H17BrN2O — CID 116983167

IUPAC4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CC(c2ccccc2Br)N(C)C1=O
InChIInChI=1S/C13H17BrN2O/c1-9(2)16-8-12(15(3)13(16)17)10-6-4-5-7-11(10)14/h4-7,9,12H,8H2,1-3H3
InChIKeyNHSFJRQENSSGRF-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.27
Rot. Bonds2

About 4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one

4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one (PubChem CID 116983167) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one
PubChem CID116983167
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CC(c2ccccc2Br)N(C)C1=O
InChIInChI=1S/C13H17BrN2O/c1-9(2)16-8-12(15(3)13(16)17)10-6-4-5-7-11(10)14/h4-7,9,12H,8H2,1-3H3
InChIKeyNHSFJRQENSSGRF-UHFFFAOYSA-N
XLogP3.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-benzofuran-3-yl)-3-methyl-1-propan-2-ylimidazolidin-2-one
CID 116983162
1-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one
CID 116981388
3-methyl-1,4-di(propan-2-yl)imidazolidin-2-one
CID 116983109
3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid
CID 116982137
3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione
CID 121207871
(2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 124568245
[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 82625445
1-ethyl-4-(2-methoxyphenyl)-3-methylimidazolidin-2-one
CID 116983085
1-(1-aminopropan-2-yl)-4-(4-ethylphenyl)-3-methylimidazolidin-2-one
CID 116981276
1-[(3aR,6S,7aS)-6-(2-bromophenyl)-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]ethanone
CID 101434783
5-(2-bromophenyl)-3-ethylimidazolidine-2,4-dione
CID 154762580
6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole
CID 163282285

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one (CID 116983167) is 4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one is CC(C)N1CC(c2ccccc2Br)N(C)C1=O.
What is the InChIKey of 4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one?
The InChIKey is NHSFJRQENSSGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9(2)16-8-12(15(3)13(16)17)10-6-4-5-7-11(10)14/h4-7,9,12H,8H2,1-3H3.
What are the key properties of 4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one?
4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one has a molecular weight of 297.20 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-3-methyl-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 116983167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).