1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole

C17H20Cl2N2 — CID 70462354

IUPAC1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole
SMILESCCCCCC/C(=C\n1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2/c1-2-3-4-5-6-14(12-21-10-9-20-13-21)16-8-7-15(18)11-17(16)19/h7-13H,2-6H2,1H3/b14-12+
InChIKeyXGLMGIZXONNUMU-WYMLVPIESA-N
MW323.27 g/mol
LogP6.16
Rot. Bonds7

About 1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole

1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole (PubChem CID 70462354) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole
PubChem CID70462354
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole
SMILESCCCCCC/C(=C\n1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2/c1-2-3-4-5-6-14(12-21-10-9-20-13-21)16-8-7-15(18)11-17(16)19/h7-13H,2-6H2,1H3/b14-12+
InChIKeyXGLMGIZXONNUMU-WYMLVPIESA-N
XLogP6.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.27
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol
CID 70583033
1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole
CID 70462372
1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
CID 3038103
6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one
CID 54242985
1-[(Z)-1-(2,4-dichlorophenyl)-1-hexoxyprop-1-en-2-yl]imidazole
CID 70531903
1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid
CID 70462656
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-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 54027975
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethenyl] 4-chlorobenzoate
CID 4991198
1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole
CID 53242920

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole?
The IUPAC name of 1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole (CID 70462354) is 1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole.
What is the SMILES notation for 1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole?
The canonical SMILES for 1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole is CCCCCC/C(=C\n1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole?
The InChIKey is XGLMGIZXONNUMU-WYMLVPIESA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-2-3-4-5-6-14(12-21-10-9-20-13-21)16-8-7-15(18)11-17(16)19/h7-13H,2-6H2,1H3/b14-12+.
What are the key properties of 1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole?
1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole has a molecular weight of 323.27 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole is sourced from PubChem (CID 70462354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).