2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid

C12H13ClN2O3 — CID 4168955

IUPAC2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H13ClN2O3/c13-10-3-1-2-9(6-10)7-14-4-5-15(12(14)18)8-11(16)17/h1-3,6H,4-5,7-8H2,(H,16,17)
InChIKeyFUMHFPLSNYUWKE-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.66
Rot. Bonds4

About 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid

2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid (PubChem CID 4168955) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid
PubChem CID4168955
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H13ClN2O3/c13-10-3-1-2-9(6-10)7-14-4-5-15(12(14)18)8-11(16)17/h1-3,6H,4-5,7-8H2,(H,16,17)
InChIKeyFUMHFPLSNYUWKE-UHFFFAOYSA-N
XLogP1.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid (CID 4168955) is 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid is O=C(O)CN1CCN(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
The InChIKey is FUMHFPLSNYUWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-10-3-1-2-9(6-10)7-14-4-5-15(12(14)18)8-11(16)17/h1-3,6H,4-5,7-8H2,(H,16,17).
What are the key properties of 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid has a molecular weight of 268.70 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 4168955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).