[2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate

C15H19FN2O3 — CID 126829467

IUPAC[2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(C)(C)N2CCNC2=O)c(F)c1
InChIInChI=1S/C15H19FN2O3/c1-10-4-5-11(12(16)8-10)13(19)21-9-15(2,3)18-7-6-17-14(18)20/h4-5,8H,6-7,9H2,1-3H3,(H,17,20)
InChIKeyIYGOPMMMMRSICU-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.09
Rot. Bonds4

About [2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate

[2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate (PubChem CID 126829467) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is [2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate.

Molecular Properties

Compound Name[2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate
PubChem CID126829467
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name[2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(C)(C)N2CCNC2=O)c(F)c1
InChIInChI=1S/C15H19FN2O3/c1-10-4-5-11(12(16)8-10)13(19)21-9-15(2,3)18-7-6-17-14(18)20/h4-5,8H,6-7,9H2,1-3H3,(H,17,20)
InChIKeyIYGOPMMMMRSICU-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate?
The IUPAC name of [2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate (CID 126829467) is [2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate.
What is the SMILES notation for [2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate?
The canonical SMILES for [2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate is Cc1ccc(C(=O)OCC(C)(C)N2CCNC2=O)c(F)c1.
What is the InChIKey of [2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate?
The InChIKey is IYGOPMMMMRSICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-4-5-11(12(16)8-10)13(19)21-9-15(2,3)18-7-6-17-14(18)20/h4-5,8H,6-7,9H2,1-3H3,(H,17,20).
What are the key properties of [2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate?
[2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate has a molecular weight of 294.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-oxoimidazolidin-1-yl)propyl] 2-fluoro-4-methylbenzoate is sourced from PubChem (CID 126829467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).