1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole

C18H22Cl2N2O — CID 70531903

IUPAC1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole
SMILESCCCCCCO/C(=C(/C)n1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H22Cl2N2O/c1-3-4-5-6-11-23-18(14(2)22-10-9-21-13-22)16-8-7-15(19)12-17(16)20/h7-10,12-13H,3-6,11H2,1-2H3/b18-14-
InChIKeyVOKXHYUOJYFPAG-JXAWBTAJSA-N
MW353.29 g/mol
LogP6.13
Rot. Bonds8

About 1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole

1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole (PubChem CID 70531903) has the molecular formula C18H22Cl2N2O and a molecular weight of 353.29 g/mol. Its IUPAC name is 1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole.

Molecular Properties

Compound Name1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole
PubChem CID70531903
Molecular FormulaC18H22Cl2N2O
Molecular Weight353.29 g/mol
Exact Mass352.11
IUPAC Name1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole
SMILESCCCCCCO/C(=C(/C)n1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H22Cl2N2O/c1-3-4-5-6-11-23-18(14(2)22-10-9-21-13-22)16-8-7-15(19)12-17(16)20/h7-10,12-13H,3-6,11H2,1-2H3/b18-14-
InChIKeyVOKXHYUOJYFPAG-JXAWBTAJSA-N
XLogP6.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.29
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
CID 3038103
1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole
CID 70462354
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]-hexoxymethanethione
CID 54137183
1-[1-[2-butoxy-2-(2,4-dichlorophenyl)ethoxy]ethenyl]imidazole;nitric acid
CID 161064059
1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole
CID 155185662
hexadecyl 2,5-dichlorobenzoate
CID 100931505
1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 3033986
1-[(Z)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 10250981
1-[(Z)-1-(5-chloro-2-propoxyphenyl)prop-1-enyl]imidazole
CID 6479461
hexyl 2-amino-5-chlorobenzoate
CID 63447328
dodecyl 2-imidazol-1-ylpropanoate
CID 10063901
1-(2,4-dichlorophenyl)-4-ethyl-2-imidazol-1-ylhex-2-en-1-ol
CID 54083006

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole?
The IUPAC name of 1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole (CID 70531903) is 1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole.
What is the SMILES notation for 1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole?
The canonical SMILES for 1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole is CCCCCCO/C(=C(/C)n1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole?
The InChIKey is VOKXHYUOJYFPAG-JXAWBTAJSA-N. The full InChI is InChI=1S/C18H22Cl2N2O/c1-3-4-5-6-11-23-18(14(2)22-10-9-21-13-22)16-8-7-15(19)12-17(16)20/h7-10,12-13H,3-6,11H2,1-2H3/b18-14-.
What are the key properties of 1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole?
1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole has a molecular weight of 353.29 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole is sourced from PubChem (CID 70531903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).