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

C12H23N3O — CID 138388328

IUPAC5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1(C)C(C)CC
InChIInChI=1S/C12H23N3O/c1-6-9(4)12(5)10(13)14-11(16)15(12)7-8(2)3/h8-9H,6-7H2,1-5H3,(H2,13,14,16)
InChIKeyARROELXCMGWARZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.45
Rot. Bonds4

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

5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one (PubChem CID 138388328) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
PubChem CID138388328
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1(C)C(C)CC
InChIInChI=1S/C12H23N3O/c1-6-9(4)12(5)10(13)14-11(16)15(12)7-8(2)3/h8-9H,6-7H2,1-5H3,(H2,13,14,16)
InChIKeyARROELXCMGWARZ-UHFFFAOYSA-N
XLogP2.45
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.45
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 5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one?
The IUPAC name of 5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one (CID 138388328) is 5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one.
What is the SMILES notation for 5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one?
The canonical SMILES for 5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC(C)C)C1(C)C(C)CC.
What is the InChIKey of 5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one?
The InChIKey is ARROELXCMGWARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-9(4)12(5)10(13)14-11(16)15(12)7-8(2)3/h8-9H,6-7H2,1-5H3,(H2,13,14,16).
What are the key properties of 5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one?
5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one is sourced from PubChem (CID 138388328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).