2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole

C16H11Cl3N2S — CID 2725522

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole
SMILESClc1ccc(CSc2nccn2-c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H11Cl3N2S/c17-12-3-1-11(2-4-12)10-22-16-20-7-8-21(16)15-9-13(18)5-6-14(15)19/h1-9H,10H2
InChIKeyQTZSLPHYWFXHNY-UHFFFAOYSA-N
MW369.70 g/mol
LogP6.12
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole

2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole (PubChem CID 2725522) has the molecular formula C16H11Cl3N2S and a molecular weight of 369.70 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole
PubChem CID2725522
Molecular FormulaC16H11Cl3N2S
Molecular Weight369.70 g/mol
Exact Mass367.97
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole
SMILESClc1ccc(CSc2nccn2-c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H11Cl3N2S/c17-12-3-1-11(2-4-12)10-22-16-20-7-8-21(16)15-9-13(18)5-6-14(15)19/h1-9H,10H2
InChIKeyQTZSLPHYWFXHNY-UHFFFAOYSA-N
XLogP6.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.70
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole (CID 2725522) is 2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole is Clc1ccc(CSc2nccn2-c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole?
The InChIKey is QTZSLPHYWFXHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2S/c17-12-3-1-11(2-4-12)10-22-16-20-7-8-21(16)15-9-13(18)5-6-14(15)19/h1-9H,10H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole?
2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole has a molecular weight of 369.70 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-1-(2,5-dichlorophenyl)imidazole is sourced from PubChem (CID 2725522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).