3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid

C17H16N2O3 — CID 10379815

IUPAC3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid
SMILESCc1ccc(N2CCN(c3cccc(C(=O)O)c3)C2=O)cc1
InChIInChI=1S/C17H16N2O3/c1-12-5-7-14(8-6-12)18-9-10-19(17(18)22)15-4-2-3-13(11-15)16(20)21/h2-8,11H,9-10H2,1H3,(H,20,21)
InChIKeyXQARHDKYZNQSTB-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.14
Rot. Bonds3

About 3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid

3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid (PubChem CID 10379815) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid
PubChem CID10379815
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid
SMILESCc1ccc(N2CCN(c3cccc(C(=O)O)c3)C2=O)cc1
InChIInChI=1S/C17H16N2O3/c1-12-5-7-14(8-6-12)18-9-10-19(17(18)22)15-4-2-3-13(11-15)16(20)21/h2-8,11H,9-10H2,1H3,(H,20,21)
InChIKeyXQARHDKYZNQSTB-UHFFFAOYSA-N
XLogP3.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid
CID 11530208
3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10064450
3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 178108886
3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 178109378
3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid
CID 58678599
3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid
CID 10410138
3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid
CID 90848150
3-[3-[2-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109308
3-(2,5-dioxopiperazin-1-yl)benzoic acid
CID 82513195
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-[4-(4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 11558186
1-(3-carboxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82367415

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid?
The IUPAC name of 3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid (CID 10379815) is 3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid.
What is the SMILES notation for 3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid?
The canonical SMILES for 3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid is Cc1ccc(N2CCN(c3cccc(C(=O)O)c3)C2=O)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid?
The InChIKey is XQARHDKYZNQSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-5-7-14(8-6-12)18-9-10-19(17(18)22)15-4-2-3-13(11-15)16(20)21/h2-8,11H,9-10H2,1H3,(H,20,21).
What are the key properties of 3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid?
3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid has a molecular weight of 296.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid is sourced from PubChem (CID 10379815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).