1-ethyl-4-imino-5-pentylimidazolidin-2-one

C10H19N3O — CID 138389280

IUPAC1-ethyl-4-imino-5-pentylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1CCCCC
InChIInChI=1S/C10H19N3O/c1-3-5-6-7-8-9(11)12-10(14)13(8)4-2/h8H,3-7H2,1-2H3,(H2,11,12,14)
InChIKeyMUMFOJMVZROZEM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.96
Rot. Bonds5

About 1-ethyl-4-imino-5-pentylimidazolidin-2-one

1-ethyl-4-imino-5-pentylimidazolidin-2-one (PubChem CID 138389280) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-ethyl-4-imino-5-pentylimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-imino-5-pentylimidazolidin-2-one
PubChem CID138389280
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-ethyl-4-imino-5-pentylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1CCCCC
InChIInChI=1S/C10H19N3O/c1-3-5-6-7-8-9(11)12-10(14)13(8)4-2/h8H,3-7H2,1-2H3,(H2,11,12,14)
InChIKeyMUMFOJMVZROZEM-UHFFFAOYSA-N
XLogP1.96
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one
CID 138388779
5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390237
ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate
CID 138389539
4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one
CID 138388584
3-butyl-1-ethylaziridin-2-one
CID 18006250
1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one
CID 138389994
4-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)benzonitrile
CID 138390303
1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one
CID 138389096
5-cyclobutyl-4-imino-1-propylimidazolidin-2-one
CID 138391173
5-amino-3-ethyl-4-hexyl-4H-imidazol-2-one
CID 79961654
5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390828
1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one
CID 138389445

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-imino-5-pentylimidazolidin-2-one?
The IUPAC name of 1-ethyl-4-imino-5-pentylimidazolidin-2-one (CID 138389280) is 1-ethyl-4-imino-5-pentylimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-imino-5-pentylimidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-imino-5-pentylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1CCCCC.
What is the InChIKey of 1-ethyl-4-imino-5-pentylimidazolidin-2-one?
The InChIKey is MUMFOJMVZROZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-5-6-7-8-9(11)12-10(14)13(8)4-2/h8H,3-7H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-ethyl-4-imino-5-pentylimidazolidin-2-one?
1-ethyl-4-imino-5-pentylimidazolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-imino-5-pentylimidazolidin-2-one is sourced from PubChem (CID 138389280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).