2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

C27H25Cl2N3O3 — CID 71558419

IUPAC2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESO=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCOCCn1ccnc1-c1ccccc1
InChIInChI=1S/C27H25Cl2N3O3/c28-22-10-6-11-23(29)26(22)31-24-12-5-4-9-21(24)19-25(33)35-18-17-34-16-15-32-14-13-30-27(32)20-7-2-1-3-8-20/h1-14,31H,15-19H2
InChIKeyQIWPYICKTZTKFW-UHFFFAOYSA-N
MW510.42 g/mol
LogP6.40
Rot. Bonds11

About 2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 71558419) has the molecular formula C27H25Cl2N3O3 and a molecular weight of 510.42 g/mol. Its IUPAC name is 2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Name2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID71558419
Molecular FormulaC27H25Cl2N3O3
Molecular Weight510.42 g/mol
Exact Mass509.13
IUPAC Name2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESO=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCOCCn1ccnc1-c1ccccc1
InChIInChI=1S/C27H25Cl2N3O3/c28-22-10-6-11-23(29)26(22)31-24-12-5-4-9-21(24)19-25(33)35-18-17-34-16-15-32-14-13-30-27(32)20-7-2-1-3-8-20/h1-14,31H,15-19H2
InChIKeyQIWPYICKTZTKFW-UHFFFAOYSA-N
XLogP6.40
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.42
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate 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

2-(1-methylimidazol-2-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;6-(2-propylimidazol-1-yl)hexyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 158277577
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
CID 59352016
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
CID 25230838
2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 159842705
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 142648888
3-(4-methylpiperidin-1-yl)propyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 142844653
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
CID 54173996
2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline
CID 62565112

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of 2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 71558419) is 2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for 2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for 2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCOCCn1ccnc1-c1ccccc1.
What is the InChIKey of 2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is QIWPYICKTZTKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O3/c28-22-10-6-11-23(29)26(22)31-24-12-5-4-9-21(24)19-25(33)35-18-17-34-16-15-32-14-13-30-27(32)20-7-2-1-3-8-20/h1-14,31H,15-19H2.
What are the key properties of 2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 510.42 g/mol, XLogP of 6.40, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 71558419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).