1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one

C15H20N2O2 — CID 655919

IUPAC1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(=O)CC)C1c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-3-13(18)16-10-11-17(14(19)4-2)15(16)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3
InChIKeyWTQCHZRJUNESPR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.18
Rot. Bonds3

About 1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one

1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one (PubChem CID 655919) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one
PubChem CID655919
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(=O)CC)C1c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-3-13(18)16-10-11-17(14(19)4-2)15(16)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3
InChIKeyWTQCHZRJUNESPR-UHFFFAOYSA-N
XLogP2.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one?
The IUPAC name of 1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one (CID 655919) is 1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one is CCC(=O)N1CCN(C(=O)CC)C1c1ccccc1.
What is the InChIKey of 1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one?
The InChIKey is WTQCHZRJUNESPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-13(18)16-10-11-17(14(19)4-2)15(16)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3.
What are the key properties of 1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one?
1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one has a molecular weight of 260.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-3-propanoylimidazolidin-1-yl)propan-1-one is sourced from PubChem (CID 655919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).