2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one

C12H22N2O2 — CID 83255125

IUPAC2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1CC1CCOC1
InChIInChI=1S/C12H22N2O2/c1-9(2)5-11-13-6-12(15)14(11)7-10-3-4-16-8-10/h9-11,13H,3-8H2,1-2H3
InChIKeyXECIWKVNPYJJOG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.83
Rot. Bonds4

About 2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one

2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one (PubChem CID 83255125) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
PubChem CID83255125
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1CC1CCOC1
InChIInChI=1S/C12H22N2O2/c1-9(2)5-11-13-6-12(15)14(11)7-10-3-4-16-8-10/h9-11,13H,3-8H2,1-2H3
InChIKeyXECIWKVNPYJJOG-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one (CID 83255125) is 2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one is CC(C)CC1NCC(=O)N1CC1CCOC1.
What is the InChIKey of 2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one?
The InChIKey is XECIWKVNPYJJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)5-11-13-6-12(15)14(11)7-10-3-4-16-8-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one?
2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one has a molecular weight of 226.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83255125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).