1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one

C14H19N3O — CID 70500307

IUPAC1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one
SMILESO=C1N(CCC2CNC2)CCN1c1ccccc1
InChIInChI=1S/C14H19N3O/c18-14-16(7-6-12-10-15-11-12)8-9-17(14)13-4-2-1-3-5-13/h1-5,12,15H,6-11H2
InChIKeyWGUDXMDTBJHCFI-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.54
Rot. Bonds4

About 1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one

1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one (PubChem CID 70500307) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one
PubChem CID70500307
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one
SMILESO=C1N(CCC2CNC2)CCN1c1ccccc1
InChIInChI=1S/C14H19N3O/c18-14-16(7-6-12-10-15-11-12)8-9-17(14)13-4-2-1-3-5-13/h1-5,12,15H,6-11H2
InChIKeyWGUDXMDTBJHCFI-UHFFFAOYSA-N
XLogP1.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one?
The IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one (CID 70500307) is 1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one is O=C1N(CCC2CNC2)CCN1c1ccccc1.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one?
The InChIKey is WGUDXMDTBJHCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-16(7-6-12-10-15-11-12)8-9-17(14)13-4-2-1-3-5-13/h1-5,12,15H,6-11H2.
What are the key properties of 1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one?
1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)ethyl]-3-phenylimidazolidin-2-one is sourced from PubChem (CID 70500307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).