3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one

C16H32N2O — CID 83247146

IUPAC3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)C(=O)N1C(CC)C(C)C
InChIInChI=1S/C16H32N2O/c1-7-9-15-17-13(10-11(3)4)16(19)18(15)14(8-2)12(5)6/h11-15,17H,7-10H2,1-6H3
InChIKeyUAIPODXMBYGYJL-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.39
Rot. Bonds7

About 3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one

3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one (PubChem CID 83247146) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
PubChem CID83247146
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)C(=O)N1C(CC)C(C)C
InChIInChI=1S/C16H32N2O/c1-7-9-15-17-13(10-11(3)4)16(19)18(15)14(8-2)12(5)6/h11-15,17H,7-10H2,1-6H3
InChIKeyUAIPODXMBYGYJL-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one?
The IUPAC name of 3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one (CID 83247146) is 3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one is CCCC1NC(CC(C)C)C(=O)N1C(CC)C(C)C.
What is the InChIKey of 3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one?
The InChIKey is UAIPODXMBYGYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-9-15-17-13(10-11(3)4)16(19)18(15)14(8-2)12(5)6/h11-15,17H,7-10H2,1-6H3.
What are the key properties of 3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one?
3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one has a molecular weight of 268.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 83247146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).