1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole

C17H22Cl2N2O2 — CID 23335433

IUPAC1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole
SMILESCCOC(C(Oc1ccc(Cl)cc1)n1ccnc1)C(C)(C)CCl
InChIInChI=1S/C17H22Cl2N2O2/c1-4-22-15(17(2,3)11-18)16(21-10-9-20-12-21)23-14-7-5-13(19)6-8-14/h5-10,12,15-16H,4,11H2,1-3H3
InChIKeyOHRQKEDTOKWESJ-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.78
Rot. Bonds8

About 1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole

1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole (PubChem CID 23335433) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole.

Molecular Properties

Compound Name1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole
PubChem CID23335433
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole
SMILESCCOC(C(Oc1ccc(Cl)cc1)n1ccnc1)C(C)(C)CCl
InChIInChI=1S/C17H22Cl2N2O2/c1-4-22-15(17(2,3)11-18)16(21-10-9-20-12-21)23-14-7-5-13(19)6-8-14/h5-10,12,15-16H,4,11H2,1-3H3
InChIKeyOHRQKEDTOKWESJ-UHFFFAOYSA-N
XLogP4.78
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenoxy)-1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylpentan-2-ol
CID 13322910
1-[1-(4-chlorophenoxy)butyl]imidazole
CID 70528757
1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one
CID 122173815
4-(4-chlorophenoxy)-2,2-diethyl-4-imidazol-1-yl-3-oxobutanoic acid
CID 20538649
ethyl 4-(4-chlorophenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-oxobutanoate
CID 54262414
[1-(4-bromophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl] pentanoate
CID 21320016
[3-[ethoxy(methyl)carbamoyl]oxy-4-imidazol-1-yl-2,2-dimethyl-4-(4-phenylphenoxy)butyl] acetate
CID 54260124
[1-imidazol-1-yl-3,3-dimethyl-1-(4-methylsulfanylphenoxy)butan-2-yl] acetate
CID 21320017
1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole
CID 70502718
[1-imidazol-1-yl-3,3-dimethyl-1-(4-nitrophenoxy)butan-2-yl] acetate
CID 21320024
[4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] 2-methylprop-2-enoate
CID 23350041
1-[2-but-1-en-2-yloxy-1-(4-chlorophenoxy)-3,3-dimethylbutyl]-1,2,4-triazole
CID 70524751

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole?
The IUPAC name of 1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole (CID 23335433) is 1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole.
What is the SMILES notation for 1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole?
The canonical SMILES for 1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole is CCOC(C(Oc1ccc(Cl)cc1)n1ccnc1)C(C)(C)CCl.
What is the InChIKey of 1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole?
The InChIKey is OHRQKEDTOKWESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-4-22-15(17(2,3)11-18)16(21-10-9-20-12-21)23-14-7-5-13(19)6-8-14/h5-10,12,15-16H,4,11H2,1-3H3.
What are the key properties of 1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole?
1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole has a molecular weight of 357.28 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole is sourced from PubChem (CID 23335433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).