1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole

C16H18Cl2N2O — CID 3009148

IUPAC1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole
SMILESC=CCCCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-2-3-4-9-21-16(11-20-8-7-19-12-20)14-6-5-13(17)10-15(14)18/h2,5-8,10,12,16H,1,3-4,9,11H2
InChIKeyDCCYGVRIRXBUSK-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.91
Rot. Bonds8

About 1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole

1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole (PubChem CID 3009148) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole
PubChem CID3009148
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole
SMILESC=CCCCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-2-3-4-9-21-16(11-20-8-7-19-12-20)14-6-5-13(17)10-15(14)18/h2,5-8,10,12,16H,1,3-4,9,11H2
InChIKeyDCCYGVRIRXBUSK-UHFFFAOYSA-N
XLogP4.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole
CID 154207042
ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate
CID 139779356
1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-[4-(4-chlorophenoxy)butoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054941
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
CID 54337740
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole
CID 3054902
1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole
CID 10691952
4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
CID 167507029

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole (CID 3009148) is 1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole is C=CCCCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole?
The InChIKey is DCCYGVRIRXBUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-2-3-4-9-21-16(11-20-8-7-19-12-20)14-6-5-13(17)10-15(14)18/h2,5-8,10,12,16H,1,3-4,9,11H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole?
1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole has a molecular weight of 325.24 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole is sourced from PubChem (CID 3009148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).