1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole

C20H17Cl3N2O2 — CID 3033988

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IUPAC1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole
SMILESC/C(=C(/OCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C20H17Cl3N2O2/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17/h2-9,12-13H,10-11H2,1H3/b20-14-
InChIKeyJMFOSJNGKJCTMJ-ZHZULCJRSA-N
MW423.73 g/mol
LogP6.28
Rot. Bonds7

About 1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole

1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole (PubChem CID 3033988) has the molecular formula C20H17Cl3N2O2 and a molecular weight of 423.73 g/mol. Its IUPAC name is 1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole.

Molecular Properties

Compound Name1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole
PubChem CID3033988
Molecular FormulaC20H17Cl3N2O2
Molecular Weight423.73 g/mol
Exact Mass422.04
IUPAC Name1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole
SMILESC/C(=C(/OCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C20H17Cl3N2O2/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17/h2-9,12-13H,10-11H2,1H3/b20-14-
InChIKeyJMFOSJNGKJCTMJ-ZHZULCJRSA-N
XLogP6.28
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 56.28
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

Croconazole
CID 2880
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, 27
CID 44565541
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

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole?
The IUPAC name of 1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole (CID 3033988) is 1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole.
What is the SMILES notation for 1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole?
The canonical SMILES for 1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole is C/C(=C(/OCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl)n1ccnc1.
What is the InChIKey of 1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole?
The InChIKey is JMFOSJNGKJCTMJ-ZHZULCJRSA-N. The full InChI is InChI=1S/C20H17Cl3N2O2/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17/h2-9,12-13H,10-11H2,1H3/b20-14-.
What are the key properties of 1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole?
1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole has a molecular weight of 423.73 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole is sourced from PubChem (CID 3033988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).