3-pentan-2-yl-5-phenylimidazolidin-4-one

C14H20N2O — CID 83239900

IUPAC3-pentan-2-yl-5-phenylimidazolidin-4-one
SMILESCCCC(C)N1CNC(c2ccccc2)C1=O
InChIInChI=1S/C14H20N2O/c1-3-7-11(2)16-10-15-13(14(16)17)12-8-5-4-6-9-12/h4-6,8-9,11,13,15H,3,7,10H2,1-2H3
InChIKeyINQQXIMQIQOROS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.31
Rot. Bonds4

About 3-pentan-2-yl-5-phenylimidazolidin-4-one

3-pentan-2-yl-5-phenylimidazolidin-4-one (PubChem CID 83239900) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-pentan-2-yl-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-pentan-2-yl-5-phenylimidazolidin-4-one
PubChem CID83239900
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-pentan-2-yl-5-phenylimidazolidin-4-one
SMILESCCCC(C)N1CNC(c2ccccc2)C1=O
InChIInChI=1S/C14H20N2O/c1-3-7-11(2)16-10-15-13(14(16)17)12-8-5-4-6-9-12/h4-6,8-9,11,13,15H,3,7,10H2,1-2H3
InChIKeyINQQXIMQIQOROS-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-5-phenylimidazolidin-4-one?
The IUPAC name of 3-pentan-2-yl-5-phenylimidazolidin-4-one (CID 83239900) is 3-pentan-2-yl-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-pentan-2-yl-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-pentan-2-yl-5-phenylimidazolidin-4-one is CCCC(C)N1CNC(c2ccccc2)C1=O.
What is the InChIKey of 3-pentan-2-yl-5-phenylimidazolidin-4-one?
The InChIKey is INQQXIMQIQOROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-7-11(2)16-10-15-13(14(16)17)12-8-5-4-6-9-12/h4-6,8-9,11,13,15H,3,7,10H2,1-2H3.
What are the key properties of 3-pentan-2-yl-5-phenylimidazolidin-4-one?
3-pentan-2-yl-5-phenylimidazolidin-4-one has a molecular weight of 232.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83239900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).