1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione

C14H11Cl2N3S — CID 79295274

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(c1ccc(Cl)cc1Cl)n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C14H11Cl2N3S/c1-8(10-3-2-9(15)6-11(10)16)19-13-4-5-17-7-12(13)18-14(19)20/h2-8H,1H3,(H,18,20)
InChIKeyGEKPEFNYZNVADL-UHFFFAOYSA-N
MW324.24 g/mol
LogP5.01
Rot. Bonds2

About 1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione

1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79295274) has the molecular formula C14H11Cl2N3S and a molecular weight of 324.24 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79295274
Molecular FormulaC14H11Cl2N3S
Molecular Weight324.24 g/mol
Exact Mass323.01
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(c1ccc(Cl)cc1Cl)n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C14H11Cl2N3S/c1-8(10-3-2-9(15)6-11(10)16)19-13-4-5-17-7-12(13)18-14(19)20/h2-8H,1H3,(H,18,20)
InChIKeyGEKPEFNYZNVADL-UHFFFAOYSA-N
XLogP5.01
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.24
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione (CID 79295274) is 1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione is CC(c1ccc(Cl)cc1Cl)n1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is GEKPEFNYZNVADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3S/c1-8(10-3-2-9(15)6-11(10)16)19-13-4-5-17-7-12(13)18-14(19)20/h2-8H,1H3,(H,18,20).
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 324.24 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79295274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).