1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one

C21H26N4O3 — CID 11545425

IUPAC1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCO/N=C/c1ccc(OCCCCN2CCN(c3ccncc3)C2=O)cc1
InChIInChI=1S/C21H26N4O3/c1-2-28-23-17-18-5-7-20(8-6-18)27-16-4-3-13-24-14-15-25(21(24)26)19-9-11-22-12-10-19/h5-12,17H,2-4,13-16H2,1H3/b23-17+
InChIKeyOIJRIPURQCGXNN-HAVVHWLPSA-N
MW382.46 g/mol
LogP3.55
Rot. Bonds10

About 1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one

1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 11545425) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID11545425
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCO/N=C/c1ccc(OCCCCN2CCN(c3ccncc3)C2=O)cc1
InChIInChI=1S/C21H26N4O3/c1-2-28-23-17-18-5-7-20(8-6-18)27-16-4-3-13-24-14-15-25(21(24)26)19-9-11-22-12-10-19/h5-12,17H,2-4,13-16H2,1H3/b23-17+
InChIKeyOIJRIPURQCGXNN-HAVVHWLPSA-N
XLogP3.55
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one (CID 11545425) is 1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one is CCO/N=C/c1ccc(OCCCCN2CCN(c3ccncc3)C2=O)cc1.
What is the InChIKey of 1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is OIJRIPURQCGXNN-HAVVHWLPSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-28-23-17-18-5-7-20(8-6-18)27-16-4-3-13-24-14-15-25(21(24)26)19-9-11-22-12-10-19/h5-12,17H,2-4,13-16H2,1H3/b23-17+.
What are the key properties of 1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 382.46 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]butyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 11545425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).