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

C15H21FN2O — CID 83242425

IUPAC2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(C(C)C)NC1c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-4-8-18-14(11-6-5-7-12(16)9-11)17-13(10(2)3)15(18)19/h5-7,9-10,13-14,17H,4,8H2,1-3H3
InChIKeySZJDLZUJVGEOSO-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.69
Rot. Bonds4

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

2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one (PubChem CID 83242425) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
PubChem CID83242425
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(C(C)C)NC1c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-4-8-18-14(11-6-5-7-12(16)9-11)17-13(10(2)3)15(18)19/h5-7,9-10,13-14,17H,4,8H2,1-3H3
InChIKeySZJDLZUJVGEOSO-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one (CID 83242425) is 2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one is CCCN1C(=O)C(C(C)C)NC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one?
The InChIKey is SZJDLZUJVGEOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-4-8-18-14(11-6-5-7-12(16)9-11)17-13(10(2)3)15(18)19/h5-7,9-10,13-14,17H,4,8H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one?
2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one has a molecular weight of 264.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one is sourced from PubChem (CID 83242425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).