2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate

C21H24F2N2O2 — CID 58693197

IUPAC2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate
SMILESCCc1ccc(-c2cc(F)c(C(=O)OCCN3CCN(C)C3)c(F)c2)cc1
InChIInChI=1S/C21H24F2N2O2/c1-3-15-4-6-16(7-5-15)17-12-18(22)20(19(23)13-17)21(26)27-11-10-25-9-8-24(2)14-25/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyCVMXYKUWDBRRKH-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.56
Rot. Bonds6

About 2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate

2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate (PubChem CID 58693197) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate.

Molecular Properties

Compound Name2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate
PubChem CID58693197
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate
SMILESCCc1ccc(-c2cc(F)c(C(=O)OCCN3CCN(C)C3)c(F)c2)cc1
InChIInChI=1S/C21H24F2N2O2/c1-3-15-4-6-16(7-5-15)17-12-18(22)20(19(23)13-17)21(26)27-11-10-25-9-8-24(2)14-25/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyCVMXYKUWDBRRKH-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ammonium, (2-hydroxyethyl)triethyl-, iodide, 4-stilbenecarboxylate
CID 6435673
2-(diethylamino)ethyl 4-[(E)-1,1-difluoronon-2-enyl]benzoate
CID 177849860
[2-Oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-phenylbenzoate
CID 8536606
2-(Diethylamino)ethyl 4-propan-2-ylbenzoate
CID 36748
2-(3-methyl-2H-imidazol-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate
CID 90972811
1-(Dimethylamino)ethyl 4-(2,4-difluorophenyl)benzoate
CID 91251599
2-Pyrrolidin-1-ylpropan-2-yl 4-(4-fluorophenyl)benzoate
CID 91517007
(1-Ethyl-2,2,5,5-tetramethylpyrrolidin-3-yl) 4-[4-(1-butyl-2,2,5,5-tetramethylpyrrolidin-3-yl)oxycarbonyl-2-fluorophenyl]-2,3-difluorobenzoate
CID 122415108
2-(3,3-Difluoropyrrolidin-1-yl)ethyl 3,4-dimethylbenzoate
CID 130399849
2-(Dimethylamino)ethyl 4-benzoylbenzoate
CID 679954
2-[4-[2-(4-Methylbenzoyl)oxyethyl]piperazin-1-yl]ethyl 4-methylbenzoate
CID 48617
Benzoic acid, 4-(4-hexylbenzoyl)-, 2-(dimethylamino)ethyl ester
CID 183966

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate?
The IUPAC name of 2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate (CID 58693197) is 2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate.
What is the SMILES notation for 2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate?
The canonical SMILES for 2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate is CCc1ccc(-c2cc(F)c(C(=O)OCCN3CCN(C)C3)c(F)c2)cc1.
What is the InChIKey of 2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate?
The InChIKey is CVMXYKUWDBRRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-3-15-4-6-16(7-5-15)17-12-18(22)20(19(23)13-17)21(26)27-11-10-25-9-8-24(2)14-25/h4-7,12-13H,3,8-11,14H2,1-2H3.
What are the key properties of 2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate?
2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate has a molecular weight of 374.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazolidin-1-yl)ethyl 4-(4-ethylphenyl)-2,6-difluorobenzoate is sourced from PubChem (CID 58693197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).