1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole

C23H23Cl3N2O3 — CID 70484994

IUPAC1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole
SMILESClc1ccc(OCC2CCCC(OC(c3ccc(Cl)cc3)C(Cl)n3ccnc3)O2)cc1
InChIInChI=1S/C23H23Cl3N2O3/c24-17-6-4-16(5-7-17)22(23(26)28-13-12-27-15-28)31-21-3-1-2-20(30-21)14-29-19-10-8-18(25)9-11-19/h4-13,15,20-23H,1-3,14H2
InChIKeyWUPHLBZJJBCGKK-UHFFFAOYSA-N
MW481.81 g/mol
LogP6.66
Rot. Bonds8

About 1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole

1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole (PubChem CID 70484994) has the molecular formula C23H23Cl3N2O3 and a molecular weight of 481.81 g/mol. Its IUPAC name is 1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole
PubChem CID70484994
Molecular FormulaC23H23Cl3N2O3
Molecular Weight481.81 g/mol
Exact Mass480.08
IUPAC Name1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole
SMILESClc1ccc(OCC2CCCC(OC(c3ccc(Cl)cc3)C(Cl)n3ccnc3)O2)cc1
InChIInChI=1S/C23H23Cl3N2O3/c24-17-6-4-16(5-7-17)22(23(26)28-13-12-27-15-28)31-21-3-1-2-20(30-21)14-29-19-10-8-18(25)9-11-19/h4-13,15,20-23H,1-3,14H2
InChIKeyWUPHLBZJJBCGKK-UHFFFAOYSA-N
XLogP6.66
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.81
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole
CID 54143206
[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethoxy]-ethoxymethanethione
CID 88824443
1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole
CID 54148970
1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole
CID 54383972
2-[2-bromo-1-(4-chlorophenyl)ethoxy]-6-[(2,4-dichlorophenoxy)methyl]oxane
CID 13071294
1-[1-chloro-2-(4-chlorophenyl)-2-[(4,6-dichloro-1-benzofuran-3-yl)methoxy]ethyl]imidazole
CID 70501168
N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide
CID 13261947
N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide
CID 173435568
1-[(6-phenoxyoxan-2-yl)methyl]imidazole
CID 13073919
1-[[(2R,6R)-6-[2-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)ethoxy]oxan-2-yl]methyl]-1,2,4-triazole
CID 54388384
1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole
CID 70637358
2-[(4-chlorophenoxy)methyl]-6-ethoxymorpholine
CID 117068766

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole?
The IUPAC name of 1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole (CID 70484994) is 1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole?
The canonical SMILES for 1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole is Clc1ccc(OCC2CCCC(OC(c3ccc(Cl)cc3)C(Cl)n3ccnc3)O2)cc1.
What is the InChIKey of 1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole?
The InChIKey is WUPHLBZJJBCGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3N2O3/c24-17-6-4-16(5-7-17)22(23(26)28-13-12-27-15-28)31-21-3-1-2-20(30-21)14-29-19-10-8-18(25)9-11-19/h4-13,15,20-23H,1-3,14H2.
What are the key properties of 1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole?
1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole has a molecular weight of 481.81 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole is sourced from PubChem (CID 70484994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).