3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid

C17H16FN3O3 — CID 178108886

IUPAC3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
SMILESCc1cc(C)c(F)c(N2CCN(c3cccc(C(=O)O)c3)C2=O)n1
InChIInChI=1S/C17H16FN3O3/c1-10-8-11(2)19-15(14(10)18)21-7-6-20(17(21)24)13-5-3-4-12(9-13)16(22)23/h3-5,8-9H,6-7H2,1-2H3,(H,22,23)
InChIKeyIARPCVDQVWBMRO-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.98
Rot. Bonds3

About 3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid

3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid (PubChem CID 178108886) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
PubChem CID178108886
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
SMILESCc1cc(C)c(F)c(N2CCN(c3cccc(C(=O)O)c3)C2=O)n1
InChIInChI=1S/C17H16FN3O3/c1-10-8-11(2)19-15(14(10)18)21-7-6-20(17(21)24)13-5-3-4-12(9-13)16(22)23/h3-5,8-9H,6-7H2,1-2H3,(H,22,23)
InChIKeyIARPCVDQVWBMRO-UHFFFAOYSA-N
XLogP2.98
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid with MolForge

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Related Compounds

tert-butyl 3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate
CID 178109138
tert-butyl 3-[3-(6-ethyl-3-fluoro-4-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate
CID 178109111
3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10379815
3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10064450
3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 178109378
3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid
CID 11530208
[3-fluoro-2-[3-[3-(methylcarbamoyl)phenyl]-2-oxoimidazolidin-1-yl]-4-pyridinyl]boronic acid
CID 178108981
methyl 3-[3-(4-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate
CID 178108846
3-(2,5-dihydroxypyrrol-1-yl)benzoic acid
CID 91932579
3-(2,5-dioxopiperazin-1-yl)benzoic acid
CID 82513195
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzoic acid
CID 63942671

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid?
The IUPAC name of 3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid (CID 178108886) is 3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid.
What is the SMILES notation for 3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid?
The canonical SMILES for 3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid is Cc1cc(C)c(F)c(N2CCN(c3cccc(C(=O)O)c3)C2=O)n1.
What is the InChIKey of 3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid?
The InChIKey is IARPCVDQVWBMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-10-8-11(2)19-15(14(10)18)21-7-6-20(17(21)24)13-5-3-4-12(9-13)16(22)23/h3-5,8-9H,6-7H2,1-2H3,(H,22,23).
What are the key properties of 3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid?
3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid has a molecular weight of 329.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluoro-4,6-dimethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid is sourced from PubChem (CID 178108886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).