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

C16H10Cl4N2S — CID 2805507

IUPAC1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole
SMILESClc1ccc(-n2ccnc2SCc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl4N2S/c17-10-4-5-15(14(20)8-10)22-7-6-21-16(22)23-9-11-12(18)2-1-3-13(11)19/h1-8H,9H2
InChIKeyPDLFIGJILDKRGC-UHFFFAOYSA-N
MW404.15 g/mol
LogP6.78
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole (PubChem CID 2805507) has the molecular formula C16H10Cl4N2S and a molecular weight of 404.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole
PubChem CID2805507
Molecular FormulaC16H10Cl4N2S
Molecular Weight404.15 g/mol
Exact Mass401.93
IUPAC Name1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole
SMILESClc1ccc(-n2ccnc2SCc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl4N2S/c17-10-4-5-15(14(20)8-10)22-7-6-21-16(22)23-9-11-12(18)2-1-3-13(11)19/h1-8H,9H2
InChIKeyPDLFIGJILDKRGC-UHFFFAOYSA-N
XLogP6.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.15
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole (CID 2805507) is 1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole is Clc1ccc(-n2ccnc2SCc2c(Cl)cccc2Cl)c(Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole?
The InChIKey is PDLFIGJILDKRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl4N2S/c17-10-4-5-15(14(20)8-10)22-7-6-21-16(22)23-9-11-12(18)2-1-3-13(11)19/h1-8H,9H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole?
1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole has a molecular weight of 404.15 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]imidazole is sourced from PubChem (CID 2805507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).