2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one

C16H21FN2O2 — CID 83268264

IUPAC2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one
SMILESCC1NC(c2ccccc2F)N(CC2(C)CCCO2)C1=O
InChIInChI=1S/C16H21FN2O2/c1-11-15(20)19(10-16(2)8-5-9-21-16)14(18-11)12-6-3-4-7-13(12)17/h3-4,6-7,11,14,18H,5,8-10H2,1-2H3
InChIKeyWJJHEWZOEMORNW-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.21
Rot. Bonds3

About 2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one

2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one (PubChem CID 83268264) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one
PubChem CID83268264
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one
SMILESCC1NC(c2ccccc2F)N(CC2(C)CCCO2)C1=O
InChIInChI=1S/C16H21FN2O2/c1-11-15(20)19(10-16(2)8-5-9-21-16)14(18-11)12-6-3-4-7-13(12)17/h3-4,6-7,11,14,18H,5,8-10H2,1-2H3
InChIKeyWJJHEWZOEMORNW-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one (CID 83268264) is 2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one is CC1NC(c2ccccc2F)N(CC2(C)CCCO2)C1=O.
What is the InChIKey of 2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one?
The InChIKey is WJJHEWZOEMORNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11-15(20)19(10-16(2)8-5-9-21-16)14(18-11)12-6-3-4-7-13(12)17/h3-4,6-7,11,14,18H,5,8-10H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one?
2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one has a molecular weight of 292.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83268264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).