2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid

C11H12N2O3 — CID 54595573

IUPAC2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
SMILESCc1c(C(=O)O)cccc1N1CCNC1=O
InChIInChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyLBXZUEMSUVQWIJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.22
Rot. Bonds2

About 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid

2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid (PubChem CID 54595573) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
PubChem CID54595573
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
SMILESCc1c(C(=O)O)cccc1N1CCNC1=O
InChIInChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyLBXZUEMSUVQWIJ-UHFFFAOYSA-N
XLogP1.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid?
The IUPAC name of 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid (CID 54595573) is 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid.
What is the SMILES notation for 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid?
The canonical SMILES for 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid is Cc1c(C(=O)O)cccc1N1CCNC1=O.
What is the InChIKey of 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid?
The InChIKey is LBXZUEMSUVQWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid?
2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid is sourced from PubChem (CID 54595573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).