2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one

C17H25FN2O — CID 83237041

IUPAC2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2F)N(C(C)CCC)C1=O
InChIInChI=1S/C17H25FN2O/c1-4-8-12(3)20-16(13-10-6-7-11-14(13)18)19-15(9-5-2)17(20)21/h6-7,10-12,15-16,19H,4-5,8-9H2,1-3H3
InChIKeyTUBYQMIRFVJOBK-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.61
Rot. Bonds6

About 2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one

2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one (PubChem CID 83237041) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one
PubChem CID83237041
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2F)N(C(C)CCC)C1=O
InChIInChI=1S/C17H25FN2O/c1-4-8-12(3)20-16(13-10-6-7-11-14(13)18)19-15(9-5-2)17(20)21/h6-7,10-12,15-16,19H,4-5,8-9H2,1-3H3
InChIKeyTUBYQMIRFVJOBK-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one (CID 83237041) is 2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one is CCCC1NC(c2ccccc2F)N(C(C)CCC)C1=O.
What is the InChIKey of 2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one?
The InChIKey is TUBYQMIRFVJOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-4-8-12(3)20-16(13-10-6-7-11-14(13)18)19-15(9-5-2)17(20)21/h6-7,10-12,15-16,19H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one?
2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one has a molecular weight of 292.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83237041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).