1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole

C23H23Cl3N2O3 — CID 54143206

IUPAC1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole
SMILESClc1ccc(C(Cn2ccnc2)O[C@H]2CCC[C@H](COc3ccc(Cl)cc3Cl)O2)cc1
InChIInChI=1S/C23H23Cl3N2O3/c24-17-6-4-16(5-7-17)22(13-28-11-10-27-15-28)31-23-3-1-2-19(30-23)14-29-21-9-8-18(25)12-20(21)26/h4-12,15,19,22-23H,1-3,13-14H2/t19-,22?,23+/m1/s1
InChIKeyOCNJHDBWAZYFEE-QREQTRJTSA-N
MW481.81 g/mol
LogP6.58
Rot. Bonds8

About 1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole

1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole (PubChem CID 54143206) has the molecular formula C23H23Cl3N2O3 and a molecular weight of 481.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole
PubChem CID54143206
Molecular FormulaC23H23Cl3N2O3
Molecular Weight481.81 g/mol
Exact Mass480.08
IUPAC Name1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole
SMILESClc1ccc(C(Cn2ccnc2)O[C@H]2CCC[C@H](COc3ccc(Cl)cc3Cl)O2)cc1
InChIInChI=1S/C23H23Cl3N2O3/c24-17-6-4-16(5-7-17)22(13-28-11-10-27-15-28)31-23-3-1-2-19(30-23)14-29-21-9-8-18(25)12-20(21)26/h4-12,15,19,22-23H,1-3,13-14H2/t19-,22?,23+/m1/s1
InChIKeyOCNJHDBWAZYFEE-QREQTRJTSA-N
XLogP6.58
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 ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole with MolForge

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Related Compounds

2-[2-bromo-1-(4-chlorophenyl)ethoxy]-6-[(2,4-dichlorophenoxy)methyl]oxane
CID 13071294
1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole
CID 54383972
1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole
CID 70484994
1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole
CID 54148970
1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol
CID 20525170
O-(2,4-dichlorophenyl) [1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylmethanethioate
CID 54050491
1-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
1-[[(2R,6R)-6-[2-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)ethoxy]oxan-2-yl]methyl]-1,2,4-triazole
CID 54388384
1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole
CID 3012224
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
N-[[5-[(2,4-dichlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62459550
1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
CID 3012220

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole (CID 54143206) is 1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole is Clc1ccc(C(Cn2ccnc2)O[C@H]2CCC[C@H](COc3ccc(Cl)cc3Cl)O2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole?
The InChIKey is OCNJHDBWAZYFEE-QREQTRJTSA-N. The full InChI is InChI=1S/C23H23Cl3N2O3/c24-17-6-4-16(5-7-17)22(13-28-11-10-27-15-28)31-23-3-1-2-19(30-23)14-29-21-9-8-18(25)12-20(21)26/h4-12,15,19,22-23H,1-3,13-14H2/t19-,22?,23+/m1/s1.
What are the key properties of 1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole?
1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole has a molecular weight of 481.81 g/mol, XLogP of 6.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole is sourced from PubChem (CID 54143206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).