4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one

C13H23N3O — CID 138390634

IUPAC4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1C1CCCC(C)C1
InChIInChI=1S/C13H23N3O/c1-8(2)16-11(12(14)15-13(16)17)10-6-4-5-9(3)7-10/h8-11H,4-7H2,1-3H3,(H2,14,15,17)
InChIKeyNQASMUZYJBFYIF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.59
Rot. Bonds2

About 4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one

4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one (PubChem CID 138390634) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one
PubChem CID138390634
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1C1CCCC(C)C1
InChIInChI=1S/C13H23N3O/c1-8(2)16-11(12(14)15-13(16)17)10-6-4-5-9(3)7-10/h8-11H,4-7H2,1-3H3,(H2,14,15,17)
InChIKeyNQASMUZYJBFYIF-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-cycloheptyl-4-imino-1-propan-2-ylimidazolidin-2-one
CID 138390874
4-imino-5-(4-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one
CID 138390571
4-imino-5-(3-methylcyclohexyl)-1-propylimidazolidin-2-one
CID 138388397
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-(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
5-amino-3-methyl-4-(3-methylcyclohexyl)-4H-imidazol-2-one
CID 79960318
3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione
CID 79317949
5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one
CID 66106098
N-tert-butyl-2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)acetamide
CID 138390406
4'-imino-1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2'-one
CID 138391249

Frequently Asked Questions

What is the IUPAC name of 4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one (CID 138390634) is 4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C(C)C)C1C1CCCC(C)C1.
What is the InChIKey of 4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one?
The InChIKey is NQASMUZYJBFYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)16-11(12(14)15-13(16)17)10-6-4-5-9(3)7-10/h8-11H,4-7H2,1-3H3,(H2,14,15,17).
What are the key properties of 4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one?
4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(3-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 138390634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).