2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid

C11H12N2O3 — CID 105475250

IUPAC2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid
SMILESCN1CC(c2ccccc2C(=O)O)NC1=O
InChIInChI=1S/C11H12N2O3/c1-13-6-9(12-11(13)16)7-4-2-3-5-8(7)10(14)15/h2-5,9H,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyNSLRMRABLBSESG-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.08
Rot. Bonds2

About 2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid

2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid (PubChem CID 105475250) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid
PubChem CID105475250
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid
SMILESCN1CC(c2ccccc2C(=O)O)NC1=O
InChIInChI=1S/C11H12N2O3/c1-13-6-9(12-11(13)16)7-4-2-3-5-8(7)10(14)15/h2-5,9H,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyNSLRMRABLBSESG-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxy-1-methylpyrrolidin-2-yl)benzoic acid
CID 105477267
2-(3,5-dioxopyrrolidin-2-yl)benzoic acid
CID 105473470
1-methyl-4-(4-phenoxyphenyl)imidazolidin-2-one
CID 116980839
2-(1-hydroxypiperidin-4-yl)benzoic acid
CID 19784857
5-(1-methyl-2-oxoimidazolidin-4-yl)-1H-pyridazin-6-one
CID 173086729
2-(3,5-dioxopyrazolidin-4-yl)benzoic acid
CID 82045448
2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid
CID 105495827
2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid
CID 23025177
2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 86767718
2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 116979592
2-(5-oxomorpholin-2-yl)benzoic acid
CID 115032444
2-(4-methyl-2,3-dioxopiperazin-1-yl)benzoic acid
CID 117372986

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid?
The IUPAC name of 2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid (CID 105475250) is 2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid.
What is the SMILES notation for 2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid?
The canonical SMILES for 2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid is CN1CC(c2ccccc2C(=O)O)NC1=O.
What is the InChIKey of 2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid?
The InChIKey is NSLRMRABLBSESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13-6-9(12-11(13)16)7-4-2-3-5-8(7)10(14)15/h2-5,9H,6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid?
2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid is sourced from PubChem (CID 105475250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).