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

C23H30N4O3 — CID 11509790

IUPAC1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCO/N=C/c1cc(C)c(OCCCCCN2CCN(c3ccncc3)C2=O)c(C)c1
InChIInChI=1S/C23H30N4O3/c1-18-15-20(17-25-29-3)16-19(2)22(18)30-14-6-4-5-11-26-12-13-27(23(26)28)21-7-9-24-10-8-21/h7-10,15-17H,4-6,11-14H2,1-3H3/b25-17+
InChIKeyQQEKXHKBBAKKNT-KOEQRZSOSA-N
MW410.52 g/mol
LogP4.17
Rot. Bonds10

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

1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 11509790) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID11509790
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCO/N=C/c1cc(C)c(OCCCCCN2CCN(c3ccncc3)C2=O)c(C)c1
InChIInChI=1S/C23H30N4O3/c1-18-15-20(17-25-29-3)16-19(2)22(18)30-14-6-4-5-11-26-12-13-27(23(26)28)21-7-9-24-10-8-21/h7-10,15-17H,4-6,11-14H2,1-3H3/b25-17+
InChIKeyQQEKXHKBBAKKNT-KOEQRZSOSA-N
XLogP4.17
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.17
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)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 11509790) is 1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is CO/N=C/c1cc(C)c(OCCCCCN2CCN(c3ccncc3)C2=O)c(C)c1.
What is the InChIKey of 1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is QQEKXHKBBAKKNT-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-18-15-20(17-25-29-3)16-19(2)22(18)30-14-6-4-5-11-26-12-13-27(23(26)28)21-7-9-24-10-8-21/h7-10,15-17H,4-6,11-14H2,1-3H3/b25-17+.
What are the key properties of 1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 410.52 g/mol, XLogP of 4.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 11509790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).