3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid

C13H15BrN2O3 — CID 116979713

IUPAC3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
SMILESCC(CN1CC(c2ccc(Br)cc2)NC1=O)C(=O)O
InChIInChI=1S/C13H15BrN2O3/c1-8(12(17)18)6-16-7-11(15-13(16)19)9-2-4-10(14)5-3-9/h2-5,8,11H,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeySCFHFOOZGOBFRI-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.24
Rot. Bonds4

About 3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid

3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid (PubChem CID 116979713) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
PubChem CID116979713
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
SMILESCC(CN1CC(c2ccc(Br)cc2)NC1=O)C(=O)O
InChIInChI=1S/C13H15BrN2O3/c1-8(12(17)18)6-16-7-11(15-13(16)19)9-2-4-10(14)5-3-9/h2-5,8,11H,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeySCFHFOOZGOBFRI-UHFFFAOYSA-N
XLogP2.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one
CID 116979937
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979506
3-(6-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)-2-methylpropanoic acid
CID 117030953
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979660
1-(2-aminopropyl)-4-(5-bromo-2-methoxyphenyl)imidazolidin-2-one
CID 116978398
1-ethyl-4-(4-ethylphenyl)imidazolidin-2-one
CID 116980946
2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid
CID 116979486
4-(4-ethoxyphenyl)-1-(2-oxopropyl)imidazolidin-2-one
CID 116980486
1-(1-hydroxyethyl)-4-phenylimidazolidin-2-one
CID 70630511
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980124

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid (CID 116979713) is 3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid is CC(CN1CC(c2ccc(Br)cc2)NC1=O)C(=O)O.
What is the InChIKey of 3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid?
The InChIKey is SCFHFOOZGOBFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-8(12(17)18)6-16-7-11(15-13(16)19)9-2-4-10(14)5-3-9/h2-5,8,11H,6-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid?
3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid has a molecular weight of 327.18 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 116979713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).