lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate

C18H14FLiN2O3 — CID 162309650

IUPAClithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate
SMILESCOc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)[O-])n2)cc1.[Li+]
InChIInChI=1S/C18H15FN2O3.Li/c1-24-15-8-2-12(3-9-15)16-11-21(17(20-16)10-18(22)23)14-6-4-13(19)5-7-14;/h2-9,11H,10H2,1H3,(H,22,23);/q;+1/p-1
InChIKeyRNXYVJSMOPUYDR-UHFFFAOYSA-M
MW332.26 g/mol
LogP-1.02
Rot. Bonds5

About lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate

lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate (PubChem CID 162309650) has the molecular formula C18H14FLiN2O3 and a molecular weight of 332.26 g/mol. Its IUPAC name is lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate.

Molecular Properties

Compound Namelithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate
PubChem CID162309650
Molecular FormulaC18H14FLiN2O3
Molecular Weight332.26 g/mol
Exact Mass332.11
IUPAC Namelithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate
SMILESCOc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)[O-])n2)cc1.[Li+]
InChIInChI=1S/C18H15FN2O3.Li/c1-24-15-8-2-12(3-9-15)16-11-21(17(20-16)10-18(22)23)14-6-4-13(19)5-7-14;/h2-9,11H,10H2,1H3,(H,22,23);/q;+1/p-1
InChIKeyRNXYVJSMOPUYDR-UHFFFAOYSA-M
XLogP-1.02
TPSA67.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate?
The IUPAC name of lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate (CID 162309650) is lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate.
What is the SMILES notation for lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate?
The canonical SMILES for lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate is COc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)[O-])n2)cc1.[Li+].
What is the InChIKey of lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate?
The InChIKey is RNXYVJSMOPUYDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15FN2O3.Li/c1-24-15-8-2-12(3-9-15)16-11-21(17(20-16)10-18(22)23)14-6-4-13(19)5-7-14;/h2-9,11H,10H2,1H3,(H,22,23);/q;+1/p-1.
What are the key properties of lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate?
lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate has a molecular weight of 332.26 g/mol, XLogP of -1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate is sourced from PubChem (CID 162309650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).