1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole

C18H14Cl4N2O — CID 91216185

IUPAC1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
SMILESClc1ccc(CC(OCc2c(Cl)cccc2Cl)n2ccnc2)c(Cl)c1
InChIInChI=1S/C18H14Cl4N2O/c19-13-5-4-12(17(22)9-13)8-18(24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-7,9,11,18H,8,10H2
InChIKeySKFXYSZWEWHHNW-UHFFFAOYSA-N
MW416.14 g/mol
LogP6.45
Rot. Bonds6

About 1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole

1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole (PubChem CID 91216185) has the molecular formula C18H14Cl4N2O and a molecular weight of 416.14 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
PubChem CID91216185
Molecular FormulaC18H14Cl4N2O
Molecular Weight416.14 g/mol
Exact Mass413.99
IUPAC Name1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
SMILESClc1ccc(CC(OCc2c(Cl)cccc2Cl)n2ccnc2)c(Cl)c1
InChIInChI=1S/C18H14Cl4N2O/c19-13-5-4-12(17(22)9-13)8-18(24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-7,9,11,18H,8,10H2
InChIKeySKFXYSZWEWHHNW-UHFFFAOYSA-N
XLogP6.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.14
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole
CID 21481629
1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 166732164
1-[1-(2,4-dichlorophenyl)-2-[2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 139707946
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115839922
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-3-[(2,4-dichlorophenyl)methyl]imidazol-3-ium chloride
CID 88824320
1-[1-(4-chlorophenoxy)butyl]imidazole
CID 70528757
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid
CID 71397350
1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]imidazole
CID 53262807
1-[1-bromo-2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 70637186
N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine
CID 172687863

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole (CID 91216185) is 1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole is Clc1ccc(CC(OCc2c(Cl)cccc2Cl)n2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole?
The InChIKey is SKFXYSZWEWHHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl4N2O/c19-13-5-4-12(17(22)9-13)8-18(24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-7,9,11,18H,8,10H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole?
1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole has a molecular weight of 416.14 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole is sourced from PubChem (CID 91216185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).