1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole

C22H18Cl4N4O — CID 166732164

IUPAC1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
SMILESClc1ccc([C@H](COC[C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C22H18Cl4N4O/c23-15-1-3-17(19(25)9-15)21(29-7-5-27-13-29)11-31-12-22(30-8-6-28-14-30)18-4-2-16(24)10-20(18)26/h1-10,13-14,21-22H,11-12H2/t21-,22-/m0/s1
InChIKeyXOPSIJQXBCJILG-VXKWHMMOSA-N
MW496.23 g/mol
LogP6.59
Rot. Bonds8

About 1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole

1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole (PubChem CID 166732164) has the molecular formula C22H18Cl4N4O and a molecular weight of 496.23 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
PubChem CID166732164
Molecular FormulaC22H18Cl4N4O
Molecular Weight496.23 g/mol
Exact Mass494.02
IUPAC Name1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
SMILESClc1ccc([C@H](COC[C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C22H18Cl4N4O/c23-15-1-3-17(19(25)9-15)21(29-7-5-27-13-29)11-31-12-22(30-8-6-28-14-30)18-4-2-16(24)10-20(18)26/h1-10,13-14,21-22H,11-12H2/t21-,22-/m0/s1
InChIKeyXOPSIJQXBCJILG-VXKWHMMOSA-N
XLogP6.59
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.23
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2,4-dichlorophenyl)-2-[2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 139707946
1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]imidazole
CID 53262807
3-(2,4-dichlorophenyl)-2-imidazol-1-ylbutanethioic S-acid
CID 88521711
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole
CID 163657718
copper;carbanide;3-(2,4-dichlorophenyl)-2-imidazol-1-ylbutanethioic S-acid;chloride
CID 88521710
S-methyl 3-(2,4-dichlorophenyl)-2-imidazol-1-ylbutanethioate
CID 21294312
2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride
CID 131883283
1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole
CID 3006879
[2-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 19843529
[2-butoxy-2-(2,4-dichlorophenyl)-1-imidazol-1-ylethyl] nitrate
CID 173429455
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole?
The IUPAC name of 1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole (CID 166732164) is 1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole.
What is the SMILES notation for 1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole?
The canonical SMILES for 1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole is Clc1ccc([C@H](COC[C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)n2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole?
The InChIKey is XOPSIJQXBCJILG-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H18Cl4N4O/c23-15-1-3-17(19(25)9-15)21(29-7-5-27-13-29)11-31-12-22(30-8-6-28-14-30)18-4-2-16(24)10-20(18)26/h1-10,13-14,21-22H,11-12H2/t21-,22-/m0/s1.
What are the key properties of 1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole?
1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole has a molecular weight of 496.23 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole is sourced from PubChem (CID 166732164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).