3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one

C15H22N2O2 — CID 83263461

IUPAC3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one
SMILESCCCC(COC)N1CNC(c2ccccc2)C1=O
InChIInChI=1S/C15H22N2O2/c1-3-7-13(10-19-2)17-11-16-14(15(17)18)12-8-5-4-6-9-12/h4-6,8-9,13-14,16H,3,7,10-11H2,1-2H3
InChIKeyCGRHKKFZWHTESF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.93
Rot. Bonds6

About 3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one

3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one (PubChem CID 83263461) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one
PubChem CID83263461
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one
SMILESCCCC(COC)N1CNC(c2ccccc2)C1=O
InChIInChI=1S/C15H22N2O2/c1-3-7-13(10-19-2)17-11-16-14(15(17)18)12-8-5-4-6-9-12/h4-6,8-9,13-14,16H,3,7,10-11H2,1-2H3
InChIKeyCGRHKKFZWHTESF-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one?
The IUPAC name of 3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one (CID 83263461) is 3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one is CCCC(COC)N1CNC(c2ccccc2)C1=O.
What is the InChIKey of 3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one?
The InChIKey is CGRHKKFZWHTESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-7-13(10-19-2)17-11-16-14(15(17)18)12-8-5-4-6-9-12/h4-6,8-9,13-14,16H,3,7,10-11H2,1-2H3.
What are the key properties of 3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one?
3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one has a molecular weight of 262.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83263461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).