5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid

C10H9FN2O3 — CID 83849942

IUPAC5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid
SMILESO=C1NC(C(=O)O)C(c2ccccc2F)N1
InChIInChI=1S/C10H9FN2O3/c11-6-4-2-1-3-5(6)7-8(9(14)15)13-10(16)12-7/h1-4,7-8H,(H,14,15)(H2,12,13,16)
InChIKeyCQKXIILQQGZQBV-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.63
Rot. Bonds2

About 5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid

5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 83849942) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid
PubChem CID83849942
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid
SMILESO=C1NC(C(=O)O)C(c2ccccc2F)N1
InChIInChI=1S/C10H9FN2O3/c11-6-4-2-1-3-5(6)7-8(9(14)15)13-10(16)12-7/h1-4,7-8H,(H,14,15)(H2,12,13,16)
InChIKeyCQKXIILQQGZQBV-UHFFFAOYSA-N
XLogP0.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 82389062
4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide
CID 3567102
(4R,5R,6R)-6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one
CID 7745838
5-(furan-2-yl)-2-oxoimidazolidine-4-carboxylic acid
CID 112710445
2-oxoimidazolidine-4,5-dicarboxylic acid
CID 19082391
3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid
CID 53441832
(4R,5R,6S)-5-benzoyl-6-(2-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 7221019
5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid
CID 19709519
propyl (4S,5S)-4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2170708
2-(2-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
CID 77185254
(7S,11S)-7,11-bis(2-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 9003891
(4S)-5-acetyl-4-(2-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 781415

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of 5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid (CID 83849942) is 5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for 5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid is O=C1NC(C(=O)O)C(c2ccccc2F)N1.
What is the InChIKey of 5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is CQKXIILQQGZQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c11-6-4-2-1-3-5(6)7-8(9(14)15)13-10(16)12-7/h1-4,7-8H,(H,14,15)(H2,12,13,16).
What are the key properties of 5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid?
5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 224.19 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 83849942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).