lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate

C10H8ClLiN2O3 — CID 163206791

IUPAClithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate
SMILESO=C([O-])c1cccc(N2CCNC2=O)c1Cl.[Li+]
InChIInChI=1S/C10H9ClN2O3.Li/c11-8-6(9(14)15)2-1-3-7(8)13-5-4-12-10(13)16;/h1-3H,4-5H2,(H,12,16)(H,14,15);/q;+1/p-1
InChIKeyJVFLJFMPDQIWIT-UHFFFAOYSA-M
MW246.58 g/mol
LogP-2.76
Rot. Bonds2

About lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate

lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate (PubChem CID 163206791) has the molecular formula C10H8ClLiN2O3 and a molecular weight of 246.58 g/mol. Its IUPAC name is lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate.

Molecular Properties

Compound Namelithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate
PubChem CID163206791
Molecular FormulaC10H8ClLiN2O3
Molecular Weight246.58 g/mol
Exact Mass246.04
IUPAC Namelithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate
SMILESO=C([O-])c1cccc(N2CCNC2=O)c1Cl.[Li+]
InChIInChI=1S/C10H9ClN2O3.Li/c11-8-6(9(14)15)2-1-3-7(8)13-5-4-12-10(13)16;/h1-3H,4-5H2,(H,12,16)(H,14,15);/q;+1/p-1
InChIKeyJVFLJFMPDQIWIT-UHFFFAOYSA-M
XLogP-2.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.58
LogP ≤ 5-2.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-2-[2-(2-oxoimidazolidin-1-yl)phenyl]acetic acid
CID 117339910
lithium 2-chloro-3-[3-(hydroxymethyl)azetidin-1-yl]benzoate
CID 163206826
1-naphthalen-1-ylimidazolidin-2-one
CID 70078556
potassium 2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoate
CID 156863444
1-(5-chloro-2-fluorophenyl)imidazolidin-2-one
CID 115370461
2-methyl-3-(2-oxoimidazolidin-1-yl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 75495810
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55700209
4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid
CID 28740437
1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 120802754
(2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119367620
5-iodo-2-(2-oxoimidazolidin-1-yl)benzoic acid
CID 63111678
1-(2-methylsulfanylphenyl)imidazolidin-2-one
CID 107647362

Frequently Asked Questions

What is the IUPAC name of lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate?
The IUPAC name of lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate (CID 163206791) is lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate.
What is the SMILES notation for lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate?
The canonical SMILES for lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate is O=C([O-])c1cccc(N2CCNC2=O)c1Cl.[Li+].
What is the InChIKey of lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate?
The InChIKey is JVFLJFMPDQIWIT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9ClN2O3.Li/c11-8-6(9(14)15)2-1-3-7(8)13-5-4-12-10(13)16;/h1-3H,4-5H2,(H,12,16)(H,14,15);/q;+1/p-1.
What are the key properties of lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate?
lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate has a molecular weight of 246.58 g/mol, XLogP of -2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-chloro-3-(2-oxoimidazolidin-1-yl)benzoate is sourced from PubChem (CID 163206791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).