2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid

C12H12N2O4 — CID 54352516

IUPAC2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(O)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H12N2O4/c15-10-7-13(6-9-4-2-1-3-5-9)12(18)14(10)8-11(16)17/h1-5,7,15H,6,8H2,(H,16,17)
InChIKeyUGTTVYYGDRUCOK-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.49
Rot. Bonds4

About 2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid

2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid (PubChem CID 54352516) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid
PubChem CID54352516
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(O)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H12N2O4/c15-10-7-13(6-9-4-2-1-3-5-9)12(18)14(10)8-11(16)17/h1-5,7,15H,6,8H2,(H,16,17)
InChIKeyUGTTVYYGDRUCOK-UHFFFAOYSA-N
XLogP0.49
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-benzyl-4-hydroxy-3-methylimidazol-2-one
CID 54295474
3-benzyl-4-hydroxy-1-methylimidazol-2-one
CID 54237295
1,3-dibenzyl-5-[(1,3-dibenzyl-2,4-dioxopyrimidin-5-yl)methyl]pyrimidine-2,4-dione
CID 10188830
1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one
CID 91480560
(3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate
CID 91343351
1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one
CID 11324666
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
2-(3,7-dibenzyl-2,6-dioxo-9H-purin-7-ium-1-yl)acetic acid
CID 2375010
1-[(3-benzyl-5-methyl-2,6-dioxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 54554001
1-benzyl-5-(hydroxymethyl)pyridin-2-one
CID 23240890
1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid
CID 70608832
2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
CID 95914099

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid?
The IUPAC name of 2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid (CID 54352516) is 2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid is O=C(O)Cn1c(O)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid?
The InChIKey is UGTTVYYGDRUCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-10-7-13(6-9-4-2-1-3-5-9)12(18)14(10)8-11(16)17/h1-5,7,15H,6,8H2,(H,16,17).
What are the key properties of 2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid?
2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid is sourced from PubChem (CID 54352516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).