1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole

C19H15Cl5N2OS — CID 154207042

IUPAC1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole
SMILESClc1ccc(C(Cn2ccnc2)OCCSc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl5N2OS/c20-12-1-2-13(14(21)7-12)18(10-26-4-3-25-11-26)27-5-6-28-19-9-16(23)15(22)8-17(19)24/h1-4,7-9,11,18H,5-6,10H2
InChIKeyFLPVOKHRCNIABM-UHFFFAOYSA-N
MW496.67 g/mol
LogP7.70
Rot. Bonds8

About 1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole

1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole (PubChem CID 154207042) has the molecular formula C19H15Cl5N2OS and a molecular weight of 496.67 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole
PubChem CID154207042
Molecular FormulaC19H15Cl5N2OS
Molecular Weight496.67 g/mol
Exact Mass493.93
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole
SMILESClc1ccc(C(Cn2ccnc2)OCCSc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl5N2OS/c20-12-1-2-13(14(21)7-12)18(10-26-4-3-25-11-26)27-5-6-28-19-9-16(23)15(22)8-17(19)24/h1-4,7-9,11,18H,5-6,10H2
InChIKeyFLPVOKHRCNIABM-UHFFFAOYSA-N
XLogP7.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.67
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole
CID 3009148
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-[(4-bromophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054908
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
1-[2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054932
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;hydrochloride
CID 18615661
1-[(2R)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;1-[(2S)-2-[(2-chloro-2,3-dihydrothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 164982391
1-[2-[4-(4-chlorophenoxy)butoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054941

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole (CID 154207042) is 1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole is Clc1ccc(C(Cn2ccnc2)OCCSc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole?
The InChIKey is FLPVOKHRCNIABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl5N2OS/c20-12-1-2-13(14(21)7-12)18(10-26-4-3-25-11-26)27-5-6-28-19-9-16(23)15(22)8-17(19)24/h1-4,7-9,11,18H,5-6,10H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole?
1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole has a molecular weight of 496.67 g/mol, XLogP of 7.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole is sourced from PubChem (CID 154207042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).