4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one

C8H15N3O — CID 138388889

IUPAC4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1CC(C)C
InChIInChI=1S/C8H15N3O/c1-5(2)4-6-7(9)10-8(12)11(6)3/h5-6H,4H2,1-3H3,(H2,9,10,12)
InChIKeyGEERNKABDZFUFH-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.03
Rot. Bonds2

About 4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one

4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one (PubChem CID 138388889) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one
PubChem CID138388889
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1CC(C)C
InChIInChI=1S/C8H15N3O/c1-5(2)4-6-7(9)10-8(12)11(6)3/h5-6H,4H2,1-3H3,(H2,9,10,12)
InChIKeyGEERNKABDZFUFH-UHFFFAOYSA-N
XLogP1.03
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one?
The IUPAC name of 4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one (CID 138388889) is 4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one.
What is the SMILES notation for 4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one?
The canonical SMILES for 4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(C)C1CC(C)C.
What is the InChIKey of 4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one?
The InChIKey is GEERNKABDZFUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(2)4-6-7(9)10-8(12)11(6)3/h5-6H,4H2,1-3H3,(H2,9,10,12).
What are the key properties of 4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one?
4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one has a molecular weight of 169.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one is sourced from PubChem (CID 138388889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).