2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole

C16H10Cl3FN2S — CID 631742

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole
SMILESFc1cccc(Cl)c1CSc1nccn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H10Cl3FN2S/c17-11-3-1-5-13(20)10(11)9-23-16-21-7-8-22(16)14-6-2-4-12(18)15(14)19/h1-8H,9H2
InChIKeyIZMOGQMYCWUTJD-UHFFFAOYSA-N
MW387.69 g/mol
LogP6.26
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole (PubChem CID 631742) has the molecular formula C16H10Cl3FN2S and a molecular weight of 387.69 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole
PubChem CID631742
Molecular FormulaC16H10Cl3FN2S
Molecular Weight387.69 g/mol
Exact Mass385.96
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole
SMILESFc1cccc(Cl)c1CSc1nccn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H10Cl3FN2S/c17-11-3-1-5-13(20)10(11)9-23-16-21-7-8-22(16)14-6-2-4-12(18)15(14)19/h1-8H,9H2
InChIKeyIZMOGQMYCWUTJD-UHFFFAOYSA-N
XLogP6.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.69
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole (CID 631742) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole is Fc1cccc(Cl)c1CSc1nccn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole?
The InChIKey is IZMOGQMYCWUTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3FN2S/c17-11-3-1-5-13(20)10(11)9-23-16-21-7-8-22(16)14-6-2-4-12(18)15(14)19/h1-8H,9H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole has a molecular weight of 387.69 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dichlorophenyl)imidazole is sourced from PubChem (CID 631742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).