4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one

C10H19N3O — CID 138388584

IUPAC4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1CC(C)C
InChIInChI=1S/C10H19N3O/c1-4-5-13-8(6-7(2)3)9(11)12-10(13)14/h7-8H,4-6H2,1-3H3,(H2,11,12,14)
InChIKeyVDLVCCXGJYXJDA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.81
Rot. Bonds4

About 4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one

4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one (PubChem CID 138388584) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one
PubChem CID138388584
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1CC(C)C
InChIInChI=1S/C10H19N3O/c1-4-5-13-8(6-7(2)3)9(11)12-10(13)14/h7-8H,4-6H2,1-3H3,(H2,11,12,14)
InChIKeyVDLVCCXGJYXJDA-UHFFFAOYSA-N
XLogP1.81
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-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 4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one?
The IUPAC name of 4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one (CID 138388584) is 4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one.
What is the SMILES notation for 4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one?
The canonical SMILES for 4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CCC)C1CC(C)C.
What is the InChIKey of 4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one?
The InChIKey is VDLVCCXGJYXJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-5-13-8(6-7(2)3)9(11)12-10(13)14/h7-8H,4-6H2,1-3H3,(H2,11,12,14).
What are the key properties of 4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one?
4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one is sourced from PubChem (CID 138388584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).