3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid

C16H14ClN3O3 — CID 178109378

IUPAC3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
SMILESCc1c(Cl)ccnc1N1CCN(c2cccc(C(=O)O)c2)C1=O
InChIInChI=1S/C16H14ClN3O3/c1-10-13(17)5-6-18-14(10)20-8-7-19(16(20)23)12-4-2-3-11(9-12)15(21)22/h2-6,9H,7-8H2,1H3,(H,21,22)
InChIKeyQDOACKQXGOEXLU-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.19
Rot. Bonds3

About 3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid

3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid (PubChem CID 178109378) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
PubChem CID178109378
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
SMILESCc1c(Cl)ccnc1N1CCN(c2cccc(C(=O)O)c2)C1=O
InChIInChI=1S/C16H14ClN3O3/c1-10-13(17)5-6-18-14(10)20-8-7-19(16(20)23)12-4-2-3-11(9-12)15(21)22/h2-6,9H,7-8H2,1H3,(H,21,22)
InChIKeyQDOACKQXGOEXLU-UHFFFAOYSA-N
XLogP3.19
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-chloro-3-ethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzamide
CID 178108892
methyl 3-[3-(4-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate
CID 178108846
3-[3-(4-chloro-3-ethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-methylbenzamide
CID 178108896
3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10379815
3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 178108886
3-[(5S)-3-(4-chloro-3-methyl-2-pyridinyl)-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide
CID 178109052
3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10064450
[3-fluoro-2-[3-[3-(methylcarbamoyl)phenyl]-2-oxoimidazolidin-1-yl]-4-pyridinyl]boronic acid
CID 178108981
3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid
CID 11530208
3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide
CID 178109286
3-[3-[4-[4-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-3-ethyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109284
3-(2,5-dioxopiperazin-1-yl)benzoic acid
CID 82513195

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid?
The IUPAC name of 3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid (CID 178109378) is 3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid.
What is the SMILES notation for 3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid?
The canonical SMILES for 3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid is Cc1c(Cl)ccnc1N1CCN(c2cccc(C(=O)O)c2)C1=O.
What is the InChIKey of 3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid?
The InChIKey is QDOACKQXGOEXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-10-13(17)5-6-18-14(10)20-8-7-19(16(20)23)12-4-2-3-11(9-12)15(21)22/h2-6,9H,7-8H2,1H3,(H,21,22).
What are the key properties of 3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid?
3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid has a molecular weight of 331.76 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid is sourced from PubChem (CID 178109378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).