3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid

C16H12F2N2O3 — CID 10064450

IUPAC3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid
SMILESO=C(O)c1cccc(N2CCN(c3cc(F)cc(F)c3)C2=O)c1
InChIInChI=1S/C16H12F2N2O3/c17-11-7-12(18)9-14(8-11)20-5-4-19(16(20)23)13-3-1-2-10(6-13)15(21)22/h1-3,6-9H,4-5H2,(H,21,22)
InChIKeyBZQSFVXENHPGGY-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.11
Rot. Bonds3

About 3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid

3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid (PubChem CID 10064450) has the molecular formula C16H12F2N2O3 and a molecular weight of 318.28 g/mol. Its IUPAC name is 3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid
PubChem CID10064450
Molecular FormulaC16H12F2N2O3
Molecular Weight318.28 g/mol
Exact Mass318.08
IUPAC Name3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid
SMILESO=C(O)c1cccc(N2CCN(c3cc(F)cc(F)c3)C2=O)c1
InChIInChI=1S/C16H12F2N2O3/c17-11-7-12(18)9-14(8-11)20-5-4-19(16(20)23)13-3-1-2-10(6-13)15(21)22/h1-3,6-9H,4-5H2,(H,21,22)
InChIKeyBZQSFVXENHPGGY-UHFFFAOYSA-N
XLogP3.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid
CID 11530208
3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 178109378
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10384140
3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide
CID 143768763
3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid
CID 58678599
1-(3-carboxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82367415
3-(2,5-dioxopiperazin-1-yl)benzoic acid
CID 82513195
1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one
CID 145225860
3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid
CID 10410138

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid?
The IUPAC name of 3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid (CID 10064450) is 3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid.
What is the SMILES notation for 3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid?
The canonical SMILES for 3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid is O=C(O)c1cccc(N2CCN(c3cc(F)cc(F)c3)C2=O)c1.
What is the InChIKey of 3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid?
The InChIKey is BZQSFVXENHPGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3/c17-11-7-12(18)9-14(8-11)20-5-4-19(16(20)23)13-3-1-2-10(6-13)15(21)22/h1-3,6-9H,4-5H2,(H,21,22).
What are the key properties of 3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid?
3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid has a molecular weight of 318.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid is sourced from PubChem (CID 10064450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).