1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one

C13H23N3O — CID 138388835

IUPAC1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C1(CC)CC(C)CC
InChIInChI=1S/C13H23N3O/c1-4-9(3)8-13(5-2)11(14)15-12(17)16(13)10-6-7-10/h9-10H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyPHOJGMSPHUVXQD-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.74
Rot. Bonds5

About 1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one

1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one (PubChem CID 138388835) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one
PubChem CID138388835
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C1(CC)CC(C)CC
InChIInChI=1S/C13H23N3O/c1-4-9(3)8-13(5-2)11(14)15-12(17)16(13)10-6-7-10/h9-10H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyPHOJGMSPHUVXQD-UHFFFAOYSA-N
XLogP2.74
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one?
The IUPAC name of 1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one (CID 138388835) is 1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one?
The canonical SMILES for 1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(C2CC2)C1(CC)CC(C)CC.
What is the InChIKey of 1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one?
The InChIKey is PHOJGMSPHUVXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-9(3)8-13(5-2)11(14)15-12(17)16(13)10-6-7-10/h9-10H,4-8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one?
1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-ethyl-4-imino-5-(2-methylbutyl)imidazolidin-2-one is sourced from PubChem (CID 138388835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).