4-(5-methylnonan-5-yl)imidazolidin-2-one

C13H26N2O — CID 166944596

IUPAC4-(5-methylnonan-5-yl)imidazolidin-2-one
SMILESCCCCC(C)(CCCC)C1CNC(=O)N1
InChIInChI=1S/C13H26N2O/c1-4-6-8-13(3,9-7-5-2)11-10-14-12(16)15-11/h11H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyXURQAKAGXVXKCR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.05
Rot. Bonds7

About 4-(5-methylnonan-5-yl)imidazolidin-2-one

4-(5-methylnonan-5-yl)imidazolidin-2-one (PubChem CID 166944596) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-(5-methylnonan-5-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(5-methylnonan-5-yl)imidazolidin-2-one
PubChem CID166944596
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-(5-methylnonan-5-yl)imidazolidin-2-one
SMILESCCCCC(C)(CCCC)C1CNC(=O)N1
InChIInChI=1S/C13H26N2O/c1-4-6-8-13(3,9-7-5-2)11-10-14-12(16)15-11/h11H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyXURQAKAGXVXKCR-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylnonan-5-yl)imidazolidin-2-one?
The IUPAC name of 4-(5-methylnonan-5-yl)imidazolidin-2-one (CID 166944596) is 4-(5-methylnonan-5-yl)imidazolidin-2-one.
What is the SMILES notation for 4-(5-methylnonan-5-yl)imidazolidin-2-one?
The canonical SMILES for 4-(5-methylnonan-5-yl)imidazolidin-2-one is CCCCC(C)(CCCC)C1CNC(=O)N1.
What is the InChIKey of 4-(5-methylnonan-5-yl)imidazolidin-2-one?
The InChIKey is XURQAKAGXVXKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-8-13(3,9-7-5-2)11-10-14-12(16)15-11/h11H,4-10H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-(5-methylnonan-5-yl)imidazolidin-2-one?
4-(5-methylnonan-5-yl)imidazolidin-2-one has a molecular weight of 226.36 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylnonan-5-yl)imidazolidin-2-one is sourced from PubChem (CID 166944596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).