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

C12H13BrN2O3 — CID 116979536

IUPAC3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CC(c2ccccc2Br)NC1=O
InChIInChI=1S/C12H13BrN2O3/c13-9-4-2-1-3-8(9)10-7-15(12(18)14-10)6-5-11(16)17/h1-4,10H,5-7H2,(H,14,18)(H,16,17)
InChIKeySXZXPXWBRMVMKV-UHFFFAOYSA-N
MW313.15 g/mol
LogP1.99
Rot. Bonds4

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

3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid (PubChem CID 116979536) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid
PubChem CID116979536
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CC(c2ccccc2Br)NC1=O
InChIInChI=1S/C12H13BrN2O3/c13-9-4-2-1-3-8(9)10-7-15(12(18)14-10)6-5-11(16)17/h1-4,10H,5-7H2,(H,14,18)(H,16,17)
InChIKeySXZXPXWBRMVMKV-UHFFFAOYSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116979888
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979506
3-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propanoic acid
CID 125146594
4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116979173
1-ethyl-4-(2-methylphenyl)imidazolidin-2-one
CID 116981049
1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one
CID 116979261
3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid
CID 116979499
methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate
CID 116980330
1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one
CID 116979323
3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid
CID 82146616
4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one
CID 116980562
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid (CID 116979536) is 3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid is O=C(O)CCN1CC(c2ccccc2Br)NC1=O.
What is the InChIKey of 3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid?
The InChIKey is SXZXPXWBRMVMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c13-9-4-2-1-3-8(9)10-7-15(12(18)14-10)6-5-11(16)17/h1-4,10H,5-7H2,(H,14,18)(H,16,17).
What are the key properties of 3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid?
3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid has a molecular weight of 313.15 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 116979536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).