1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one

C23H30N4O3 — CID 11603944

IUPAC1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCO/N=C/c1ccc(OCCCCCCN2CCN(c3ccncc3)C2=O)cc1
InChIInChI=1S/C23H30N4O3/c1-2-30-25-19-20-7-9-22(10-8-20)29-18-6-4-3-5-15-26-16-17-27(23(26)28)21-11-13-24-14-12-21/h7-14,19H,2-6,15-18H2,1H3/b25-19+
InChIKeyKMTKQJKXINXDNW-NCELDCMTSA-N
MW410.52 g/mol
LogP4.33
Rot. Bonds12

About 1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one

1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 11603944) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID11603944
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCO/N=C/c1ccc(OCCCCCCN2CCN(c3ccncc3)C2=O)cc1
InChIInChI=1S/C23H30N4O3/c1-2-30-25-19-20-7-9-22(10-8-20)29-18-6-4-3-5-15-26-16-17-27(23(26)28)21-11-13-24-14-12-21/h7-14,19H,2-6,15-18H2,1H3/b25-19+
InChIKeyKMTKQJKXINXDNW-NCELDCMTSA-N
XLogP4.33
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.33
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-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-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-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one (CID 11603944) is 1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one is CCO/N=C/c1ccc(OCCCCCCN2CCN(c3ccncc3)C2=O)cc1.
What is the InChIKey of 1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is KMTKQJKXINXDNW-NCELDCMTSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-2-30-25-19-20-7-9-22(10-8-20)29-18-6-4-3-5-15-26-16-17-27(23(26)28)21-11-13-24-14-12-21/h7-14,19H,2-6,15-18H2,1H3/b25-19+.
What are the key properties of 1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 410.52 g/mol, XLogP of 4.33, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[(E)-ethoxyiminomethyl]phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 11603944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).