5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one

C16H21FN2O2 — CID 83245733

IUPAC5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one
SMILESCCC1NC(c2cccc(F)c2)N(CC2CCCO2)C1=O
InChIInChI=1S/C16H21FN2O2/c1-2-14-16(20)19(10-13-7-4-8-21-13)15(18-14)11-5-3-6-12(17)9-11/h3,5-6,9,13-15,18H,2,4,7-8,10H2,1H3
InChIKeyBUAWSNLUTJJHRT-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.21
Rot. Bonds4

About 5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one

5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one (PubChem CID 83245733) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one
PubChem CID83245733
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one
SMILESCCC1NC(c2cccc(F)c2)N(CC2CCCO2)C1=O
InChIInChI=1S/C16H21FN2O2/c1-2-14-16(20)19(10-13-7-4-8-21-13)15(18-14)11-5-3-6-12(17)9-11/h3,5-6,9,13-15,18H,2,4,7-8,10H2,1H3
InChIKeyBUAWSNLUTJJHRT-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one (CID 83245733) is 5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one is CCC1NC(c2cccc(F)c2)N(CC2CCCO2)C1=O.
What is the InChIKey of 5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one?
The InChIKey is BUAWSNLUTJJHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-2-14-16(20)19(10-13-7-4-8-21-13)15(18-14)11-5-3-6-12(17)9-11/h3,5-6,9,13-15,18H,2,4,7-8,10H2,1H3.
What are the key properties of 5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one?
5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one has a molecular weight of 292.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83245733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).