1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole

C19H15Cl3N2O2 — CID 3033986

IUPAC1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
SMILESClc1ccc(OCCO/C(=C/n2ccnc2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H15Cl3N2O2/c20-14-1-4-16(5-2-14)25-9-10-26-19(12-24-8-7-23-13-24)17-6-3-15(21)11-18(17)22/h1-8,11-13H,9-10H2/b19-12+
InChIKeyABVFVJRTKMVJMV-XDHOZWIPSA-N
MW409.70 g/mol
LogP5.89
Rot. Bonds7

About 1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole

1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole (PubChem CID 3033986) has the molecular formula C19H15Cl3N2O2 and a molecular weight of 409.70 g/mol. Its IUPAC name is 1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole.

Molecular Properties

Compound Name1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
PubChem CID3033986
Molecular FormulaC19H15Cl3N2O2
Molecular Weight409.70 g/mol
Exact Mass408.02
IUPAC Name1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
SMILESClc1ccc(OCCO/C(=C/n2ccnc2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H15Cl3N2O2/c20-14-1-4-16(5-2-14)25-9-10-26-19(12-24-8-7-23-13-24)17-6-3-15(21)11-18(17)22/h1-8,11-13H,9-10H2/b19-12+
InChIKeyABVFVJRTKMVJMV-XDHOZWIPSA-N
XLogP5.89
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Omoconazole
CID 3033988
Omoconazole Nitrate
CID 3036590
Imidazole-dioxolane, 23
CID 44565516
Imidazole-dioxolane, 25
CID 44565520
1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
CID 24768399
Imidazole-dioxolane, 28
CID 44565543
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-1H-imidazole
CID 2853604
1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]-1H-imidazole
CID 4110518
1-[6-(4-Chloro-3,5-dimethylphenoxy)hexyl]imidazole
CID 2853905
1-[[(2R,4R)-2-[2-(4-chlorophenyl)ethyl]-4-(phenoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 44565515
1-[[(2R,4R)-2-[2-(4-chlorophenyl)ethyl]-4-[(4-fluorophenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 44565519
1-[[(2S,4R)-2-[2-(4-chlorophenyl)ethyl]-4-[(4-methoxyphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 45263365

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole?
The IUPAC name of 1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole (CID 3033986) is 1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole.
What is the SMILES notation for 1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole?
The canonical SMILES for 1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole is Clc1ccc(OCCO/C(=C/n2ccnc2)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole?
The InChIKey is ABVFVJRTKMVJMV-XDHOZWIPSA-N. The full InChI is InChI=1S/C19H15Cl3N2O2/c20-14-1-4-16(5-2-14)25-9-10-26-19(12-24-8-7-23-13-24)17-6-3-15(21)11-18(17)22/h1-8,11-13H,9-10H2/b19-12+.
What are the key properties of 1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole?
1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole has a molecular weight of 409.70 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole is sourced from PubChem (CID 3033986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).