ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate

C19H24Cl2N2O3 — CID 139779356

IUPACethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate
SMILESCCOC(=O)CCCCCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H24Cl2N2O3/c1-2-25-19(24)6-4-3-5-11-26-18(13-23-10-9-22-14-23)16-8-7-15(20)12-17(16)21/h7-10,12,14,18H,2-6,11,13H2,1H3
InChIKeyYRNRSMKRXPEJCN-UHFFFAOYSA-N
MW399.32 g/mol
LogP5.07
Rot. Bonds11

About ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate

ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate (PubChem CID 139779356) has the molecular formula C19H24Cl2N2O3 and a molecular weight of 399.32 g/mol. Its IUPAC name is ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate.

Molecular Properties

Compound Nameethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate
PubChem CID139779356
Molecular FormulaC19H24Cl2N2O3
Molecular Weight399.32 g/mol
Exact Mass398.12
IUPAC Nameethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate
SMILESCCOC(=O)CCCCCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H24Cl2N2O3/c1-2-25-19(24)6-4-3-5-11-26-18(13-23-10-9-22-14-23)16-8-7-15(20)12-17(16)21/h7-10,12,14,18H,2-6,11,13H2,1H3
InChIKeyYRNRSMKRXPEJCN-UHFFFAOYSA-N
XLogP5.07
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 11-[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethoxy]undecanoate
CID 142869410
1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole
CID 3009148
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
1-[2-[4-(4-chlorophenoxy)butoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054941
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]-hexoxymethanethione
CID 54137183
1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
CID 167507029
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 3,4-dichlorobenzoate
CID 21422347
1-[2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054932
1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole
CID 154207042
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] carbamothioate
CID 140542063
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate?
The IUPAC name of ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate (CID 139779356) is ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate.
What is the SMILES notation for ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate?
The canonical SMILES for ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate is CCOC(=O)CCCCCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate?
The InChIKey is YRNRSMKRXPEJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O3/c1-2-25-19(24)6-4-3-5-11-26-18(13-23-10-9-22-14-23)16-8-7-15(20)12-17(16)21/h7-10,12,14,18H,2-6,11,13H2,1H3.
What are the key properties of ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate?
ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate has a molecular weight of 399.32 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate is sourced from PubChem (CID 139779356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).