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

C21H26N4O3 — CID 11703643

IUPAC1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCO/N=C/c1ccc(OCCCCCN2CCN(c3ccncc3)C2=O)cc1
InChIInChI=1S/C21H26N4O3/c1-27-23-17-18-5-7-20(8-6-18)28-16-4-2-3-13-24-14-15-25(21(24)26)19-9-11-22-12-10-19/h5-12,17H,2-4,13-16H2,1H3/b23-17+
InChIKeyBONNYJTYPIAEFC-HAVVHWLPSA-N
MW382.46 g/mol
LogP3.55
Rot. Bonds10

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

1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 11703643) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID11703643
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCO/N=C/c1ccc(OCCCCCN2CCN(c3ccncc3)C2=O)cc1
InChIInChI=1S/C21H26N4O3/c1-27-23-17-18-5-7-20(8-6-18)28-16-4-2-3-13-24-14-15-25(21(24)26)19-9-11-22-12-10-19/h5-12,17H,2-4,13-16H2,1H3/b23-17+
InChIKeyBONNYJTYPIAEFC-HAVVHWLPSA-N
XLogP3.55
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.55
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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Related Compounds

4-((5-(2-Oxo-3-(Pyridin-4-Yl)imidazolidin-1-Yl)pentyl)oxy)benzaldehyde O-Ethyl Oxime
CID 10250152
1-[5-[4-(5-Ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278485
1-[5-[4-(2-Ethyltetrazol-5-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278489
1-[6-[(3-Cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one
CID 11741247
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-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 168286940
Enterovirus 71 Inhibitor NLD-22
CID 146018673
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-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155520438
1-(2-Amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
CID 155527644

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 11703643) is 1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is CO/N=C/c1ccc(OCCCCCN2CCN(c3ccncc3)C2=O)cc1.
What is the InChIKey of 1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is BONNYJTYPIAEFC-HAVVHWLPSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-23-17-18-5-7-20(8-6-18)28-16-4-2-3-13-24-14-15-25(21(24)26)19-9-11-22-12-10-19/h5-12,17H,2-4,13-16H2,1H3/b23-17+.
What are the key properties of 1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-[4-[(E)-methoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 382.46 g/mol, XLogP of 3.55, 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]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 11703643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).