5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one

C13H23N3O — CID 138390874

IUPAC5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1C1CCCCCC1
InChIInChI=1S/C13H23N3O/c1-9(2)16-11(12(14)15-13(16)17)10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyFXGNXJMBKRHHFY-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.74
Rot. Bonds2

About 5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one

5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one (PubChem CID 138390874) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one
PubChem CID138390874
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1C1CCCCCC1
InChIInChI=1S/C13H23N3O/c1-9(2)16-11(12(14)15-13(16)17)10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyFXGNXJMBKRHHFY-UHFFFAOYSA-N
XLogP2.74
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-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

Related Compounds

4-imino-5-(4-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one
CID 138390571
4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one
CID 138390634
5-cyclobutyl-4-imino-1-propylimidazolidin-2-one
CID 138391173
2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide
CID 138390417
5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one
CID 79968357
5-(4-tert-butylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one
CID 138389941
4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one
CID 138390641
4-imino-5-(3-methylcyclohexyl)-1-propylimidazolidin-2-one
CID 138388397
5-(4-fluoro-3-methylphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one
CID 138389722
3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64887376
4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one
CID 138390708
N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide
CID 138390406

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one (CID 138390874) is 5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C(C)C)C1C1CCCCCC1.
What is the InChIKey of 5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one?
The InChIKey is FXGNXJMBKRHHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)16-11(12(14)15-13(16)17)10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3,(H2,14,15,17).
What are the key properties of 5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one?
5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 138390874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).