1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one

C24H32N4O3 — CID 11661808

IUPAC1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCO/N=C/c1ccc(OCCCCCCCN2CCN(c3ccncc3)C2=O)cc1
InChIInChI=1S/C24H32N4O3/c1-2-31-26-20-21-8-10-23(11-9-21)30-19-7-5-3-4-6-16-27-17-18-28(24(27)29)22-12-14-25-15-13-22/h8-15,20H,2-7,16-19H2,1H3/b26-20+
InChIKeySTZAVDGXPVHUHJ-LHLOQNFPSA-N
MW424.55 g/mol
LogP4.72
Rot. Bonds13

About 1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one

1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 11661808) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID11661808
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCO/N=C/c1ccc(OCCCCCCCN2CCN(c3ccncc3)C2=O)cc1
InChIInChI=1S/C24H32N4O3/c1-2-31-26-20-21-8-10-23(11-9-21)30-19-7-5-3-4-6-16-27-17-18-28(24(27)29)22-12-14-25-15-13-22/h8-15,20H,2-7,16-19H2,1H3/b26-20+
InChIKeySTZAVDGXPVHUHJ-LHLOQNFPSA-N
XLogP4.72
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.72
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'}

Analyze 1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one (CID 11661808) is 1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one is CCO/N=C/c1ccc(OCCCCCCCN2CCN(c3ccncc3)C2=O)cc1.
What is the InChIKey of 1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is STZAVDGXPVHUHJ-LHLOQNFPSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-2-31-26-20-21-8-10-23(11-9-21)30-19-7-5-3-4-6-16-27-17-18-28(24(27)29)22-12-14-25-15-13-22/h8-15,20H,2-7,16-19H2,1H3/b26-20+.
What are the key properties of 1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 424.55 g/mol, XLogP of 4.72, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[4-[(E)-ethoxyiminomethyl]phenoxy]heptyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 11661808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).