5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one

C10H19N3O2 — CID 138390237

IUPAC5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1CCCC
InChIInChI=1S/C10H19N3O2/c1-3-4-5-8-9(11)12-10(14)13(8)6-7-15-2/h8H,3-7H2,1-2H3,(H2,11,12,14)
InChIKeyDLAVXXNYTXQGRE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.19
Rot. Bonds6

About 5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one

5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one (PubChem CID 138390237) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
PubChem CID138390237
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1CCCC
InChIInChI=1S/C10H19N3O2/c1-3-4-5-8-9(11)12-10(14)13(8)6-7-15-2/h8H,3-7H2,1-2H3,(H2,11,12,14)
InChIKeyDLAVXXNYTXQGRE-UHFFFAOYSA-N
XLogP1.19
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-imino-5-pentylimidazolidin-2-one
CID 138389280
4-imino-1-(2-methylpropyl)-5-pentylimidazolidin-2-one
CID 138388779
4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one
CID 138388584
5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390315
5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390703
4-imino-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)imidazolidin-2-one
CID 138390235
4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one
CID 138390169
5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138389790
4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one
CID 138390991
5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one
CID 138390848
ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate
CID 138389539
5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one
CID 83243884

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one (CID 138390237) is 5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CCOC)C1CCCC.
What is the InChIKey of 5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is DLAVXXNYTXQGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-4-5-8-9(11)12-10(14)13(8)6-7-15-2/h8H,3-7H2,1-2H3,(H2,11,12,14).
What are the key properties of 5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 138390237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).