4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one

C14H19N3O2 — CID 138389882

IUPAC4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1c1ccccc1COC
InChIInChI=1S/C14H19N3O2/c1-9(2)17-12(13(15)16-14(17)18)11-7-5-4-6-10(11)8-19-3/h4-7,9,12H,8H2,1-3H3,(H2,15,16,18)
InChIKeyOGIWDYPBBVPOOT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.28
Rot. Bonds4

About 4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one

4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one (PubChem CID 138389882) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one
PubChem CID138389882
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1c1ccccc1COC
InChIInChI=1S/C14H19N3O2/c1-9(2)17-12(13(15)16-14(17)18)11-7-5-4-6-10(11)8-19-3/h4-7,9,12H,8H2,1-3H3,(H2,15,16,18)
InChIKeyOGIWDYPBBVPOOT-UHFFFAOYSA-N
XLogP2.28
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.28
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 4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one (CID 138389882) is 4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C(C)C)C1c1ccccc1COC.
What is the InChIKey of 4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one?
The InChIKey is OGIWDYPBBVPOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)17-12(13(15)16-14(17)18)11-7-5-4-6-10(11)8-19-3/h4-7,9,12H,8H2,1-3H3,(H2,15,16,18).
What are the key properties of 4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one?
4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-[2-(methoxymethyl)phenyl]-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 138389882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).