1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one

C14H17N3O2 — CID 138389220

IUPAC1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C1c1cccc(COC)c1
InChIInChI=1S/C14H17N3O2/c1-19-8-9-3-2-4-10(7-9)12-13(15)16-14(18)17(12)11-5-6-11/h2-4,7,11-12H,5-6,8H2,1H3,(H2,15,16,18)
InChIKeyPSIIDIYEESYXLS-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.04
Rot. Bonds4

About 1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one

1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one (PubChem CID 138389220) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one
PubChem CID138389220
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C1c1cccc(COC)c1
InChIInChI=1S/C14H17N3O2/c1-19-8-9-3-2-4-10(7-9)12-13(15)16-14(18)17(12)11-5-6-11/h2-4,7,11-12H,5-6,8H2,1H3,(H2,15,16,18)
InChIKeyPSIIDIYEESYXLS-UHFFFAOYSA-N
XLogP2.04
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one (CID 138389220) is 1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one is [H]/N=C1\NC(=O)N(C2CC2)C1c1cccc(COC)c1.
What is the InChIKey of 1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one?
The InChIKey is PSIIDIYEESYXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-8-9-3-2-4-10(7-9)12-13(15)16-14(18)17(12)11-5-6-11/h2-4,7,11-12H,5-6,8H2,1H3,(H2,15,16,18).
What are the key properties of 1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one?
1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 138389220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).