1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one

C22H29N5O3 — CID 155536334

IUPAC1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one
SMILESCCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)C2=O)cc1
InChIInChI=1S/C22H29N5O3/c1-2-30-25-17-18-6-8-20(9-7-18)29-15-5-3-4-12-26-13-14-27(22(26)28)19-10-11-24-21(23)16-19/h6-11,16-17H,2-5,12-15H2,1H3,(H2,23,24)/b25-17+
InChIKeyAMOFBULALDHBLU-KOEQRZSOSA-N
MW411.51 g/mol
LogP3.53
Rot. Bonds11

About 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one

1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one (PubChem CID 155536334) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one
PubChem CID155536334
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one
SMILESCCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)C2=O)cc1
InChIInChI=1S/C22H29N5O3/c1-2-30-25-17-18-6-8-20(9-7-18)29-15-5-3-4-12-26-13-14-27(22(26)28)19-10-11-24-21(23)16-19/h6-11,16-17H,2-5,12-15H2,1H3,(H2,23,24)/b25-17+
InChIKeyAMOFBULALDHBLU-KOEQRZSOSA-N
XLogP3.53
TPSA93.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one?
The IUPAC name of 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one (CID 155536334) is 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one is CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)C2=O)cc1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one?
The InChIKey is AMOFBULALDHBLU-KOEQRZSOSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-2-30-25-17-18-6-8-20(9-7-18)29-15-5-3-4-12-26-13-14-27(22(26)28)19-10-11-24-21(23)16-19/h6-11,16-17H,2-5,12-15H2,1H3,(H2,23,24)/b25-17+.
What are the key properties of 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one?
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one has a molecular weight of 411.51 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one is sourced from PubChem (CID 155536334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).