1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one

C24H32N4O3 — CID 11697530

IUPAC1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCO/N=C/c1cc(C)c(OCCCCCN2CCN(c3ccncc3)C2=O)c(C)c1
InChIInChI=1S/C24H32N4O3/c1-4-31-26-18-21-16-19(2)23(20(3)17-21)30-15-7-5-6-12-27-13-14-28(24(27)29)22-8-10-25-11-9-22/h8-11,16-18H,4-7,12-15H2,1-3H3/b26-18+
InChIKeyYZVDVFGPNWREOH-NLRVBDNBSA-N
MW424.55 g/mol
LogP4.56
Rot. Bonds11

About 1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one

1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 11697530) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID11697530
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCO/N=C/c1cc(C)c(OCCCCCN2CCN(c3ccncc3)C2=O)c(C)c1
InChIInChI=1S/C24H32N4O3/c1-4-31-26-18-21-16-19(2)23(20(3)17-21)30-15-7-5-6-12-27-13-14-28(24(27)29)22-8-10-25-11-9-22/h8-11,16-18H,4-7,12-15H2,1-3H3/b26-18+
InChIKeyYZVDVFGPNWREOH-NLRVBDNBSA-N
XLogP4.56
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.56
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-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 11697530) is 1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is CCO/N=C/c1cc(C)c(OCCCCCN2CCN(c3ccncc3)C2=O)c(C)c1.
What is the InChIKey of 1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is YZVDVFGPNWREOH-NLRVBDNBSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-31-26-18-21-16-19(2)23(20(3)17-21)30-15-7-5-6-12-27-13-14-28(24(27)29)22-8-10-25-11-9-22/h8-11,16-18H,4-7,12-15H2,1-3H3/b26-18+.
What are the key properties of 1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 424.55 g/mol, XLogP of 4.56, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 11697530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).