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'}

Analyze 1-[5-[4-[(E)-methoxyiminomethyl]-2,6-dimethylphenoxy]pentyl]-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

Related Compounds

4-((5-(2-Oxo-3-(Pyridin-4-Yl)imidazolidin-1-Yl)pentyl)oxy)benzaldehyde O-Ethyl Oxime
CID 10250152
1-[5-[4-(2-Ethyltetrazol-5-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278489
1-[5-[4-[(Z)-ethoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58934084
4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118491864
1-[3-Methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278484
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 91799322
1-(2-Amino-4-pyridinyl)-3-[5-[4-[(ethoxyamino)methyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155535387
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one
CID 155536334
1-(4-Pyridyl)-3-[6-[4-(trifluoromethyl)phenoxy]hexyl]imidazolidin-2-one
CID 493080
1-[[3-[[4-(4-Chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278461
1-[5-[4-(4-Chlorophenyl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278469
1-[5-[4-(4-Chlorophenyl)phenoxy]-3-ethyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278470

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).