2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid

C11H12N2O3 — CID 83822306

IUPAC2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1CN1CCNC1=O
InChIInChI=1S/C11H12N2O3/c14-10(15)9-4-2-1-3-8(9)7-13-6-5-12-11(13)16/h1-4H,5-7H2,(H,12,16)(H,14,15)
InChIKeyNXYAFNBXNRHORR-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.91
Rot. Bonds3

About 2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid

2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid (PubChem CID 83822306) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid
PubChem CID83822306
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1CN1CCNC1=O
InChIInChI=1S/C11H12N2O3/c14-10(15)9-4-2-1-3-8(9)7-13-6-5-12-11(13)16/h1-4H,5-7H2,(H,12,16)(H,14,15)
InChIKeyNXYAFNBXNRHORR-UHFFFAOYSA-N
XLogP0.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-nitrophenyl)methyl]imidazolidin-2-one
CID 71758327
N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 166204417
2-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoic acid
CID 43415517
2-[(3-oxo-1H-isoindol-2-yl)methyl]benzoic acid
CID 43625924
2-[(4-ethyl-2-oxopyrrolidin-1-yl)methyl]benzoic acid
CID 10106013
1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea
CID 75505388
2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 43470471
6-acetyl-3-benzyl-1,3,6-triazonan-2-one
CID 170035651
1-(3-oxo-3-phenylpropyl)imidazolidin-2-one
CID 11183562
2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324861
2-[(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]benzoic acid
CID 82148017
2-(3-methylphenyl)-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 75472823

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid?
The IUPAC name of 2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid (CID 83822306) is 2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid is O=C(O)c1ccccc1CN1CCNC1=O.
What is the InChIKey of 2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid?
The InChIKey is NXYAFNBXNRHORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-10(15)9-4-2-1-3-8(9)7-13-6-5-12-11(13)16/h1-4H,5-7H2,(H,12,16)(H,14,15).
What are the key properties of 2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid?
2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid has a molecular weight of 220.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 83822306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).