1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one

C19H28N4O2 — CID 56704037

IUPAC1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1ccc(OC23CCCN(CC2)C3)cc1
InChIInChI=1S/C19H28N4O2/c24-18-21-9-13-23(18)12-8-20-14-16-2-4-17(5-3-16)25-19-6-1-10-22(15-19)11-7-19/h2-5,20H,1,6-15H2,(H,21,24)
InChIKeyWKSUPYXGDNOYLN-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.42
Rot. Bonds7

About 1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one

1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one (PubChem CID 56704037) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one
PubChem CID56704037
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1ccc(OC23CCCN(CC2)C3)cc1
InChIInChI=1S/C19H28N4O2/c24-18-21-9-13-23(18)12-8-20-14-16-2-4-17(5-3-16)25-19-6-1-10-22(15-19)11-7-19/h2-5,20H,1,6-15H2,(H,21,24)
InChIKeyWKSUPYXGDNOYLN-UHFFFAOYSA-N
XLogP1.42
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 56721325
1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 28738658
1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one
CID 62990467
1-[2-[(3-fluorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 28970678
1-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]imidazolidin-2-one
CID 107230430
1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one
CID 63363032
1-[2-(2-pyridin-4-ylethylamino)ethyl]imidazolidin-2-one
CID 60904196
6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 66799765
6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide
CID 56943523
ethane;1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 142017156
1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one
CID 106133692
1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one
CID 28576905

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one (CID 56704037) is 1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCc1ccc(OC23CCCN(CC2)C3)cc1.
What is the InChIKey of 1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one?
The InChIKey is WKSUPYXGDNOYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18-21-9-13-23(18)12-8-20-14-16-2-4-17(5-3-16)25-19-6-1-10-22(15-19)11-7-19/h2-5,20H,1,6-15H2,(H,21,24).
What are the key properties of 1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one?
1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one has a molecular weight of 344.46 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 56704037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).