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

C18H17BrN2O3 — CID 70078117

IUPAC3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(N2CCN(c3ccc(Br)cc3)C2=O)cc1
InChIInChI=1S/C18H17BrN2O3/c19-14-4-8-16(9-5-14)21-12-11-20(18(21)24)15-6-1-13(2-7-15)3-10-17(22)23/h1-2,4-9H,3,10-12H2,(H,22,23)
InChIKeyQDBQVLILYLULLC-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.91
Rot. Bonds5

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

3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid (PubChem CID 70078117) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid
PubChem CID70078117
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(N2CCN(c3ccc(Br)cc3)C2=O)cc1
InChIInChI=1S/C18H17BrN2O3/c19-14-4-8-16(9-5-14)21-12-11-20(18(21)24)15-6-1-13(2-7-15)3-10-17(22)23/h1-2,4-9H,3,10-12H2,(H,22,23)
InChIKeyQDBQVLILYLULLC-UHFFFAOYSA-N
XLogP3.91
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 82514270
3-[4-[3-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid;hydrochloride
CID 70073197
3-[4-[3-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid;hydrochloride
CID 70086129
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
3-[4-[2-oxo-3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)imidazolidin-1-yl]phenyl]propanoic acid
CID 18943666
3-[4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid
CID 115341063
1-benzyl-3-(4-bromophenyl)imidazolidin-2-one
CID 118239025
3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid
CID 168698330
4-(4-bromophenyl)-2-oxobutanoic acid
CID 82380544
3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid
CID 18990902
4-[4-(4-bromophenyl)phenyl]butanoic acid
CID 21437969
1-(4-butylphenyl)-3-[4-(hydroxymethyl)phenyl]imidazolidin-2-one
CID 59456863

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid (CID 70078117) is 3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid is O=C(O)CCc1ccc(N2CCN(c3ccc(Br)cc3)C2=O)cc1.
What is the InChIKey of 3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid?
The InChIKey is QDBQVLILYLULLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c19-14-4-8-16(9-5-14)21-12-11-20(18(21)24)15-6-1-13(2-7-15)3-10-17(22)23/h1-2,4-9H,3,10-12H2,(H,22,23).
What are the key properties of 3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid?
3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid has a molecular weight of 389.25 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid is sourced from PubChem (CID 70078117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).