2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

C13H10ClN3S — CID 580871

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1ccc(CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C13H10ClN3S/c14-10-5-3-9(4-6-10)8-18-13-16-11-2-1-7-15-12(11)17-13/h1-7H,8H2,(H,15,16,17)
InChIKeyCUDZXVDGFRMUPM-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.90
Rot. Bonds3

About 2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 580871) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
PubChem CID580871
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1ccc(CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C13H10ClN3S/c14-10-5-3-9(4-6-10)8-18-13-16-11-2-1-7-15-12(11)17-13/h1-7H,8H2,(H,15,16,17)
InChIKeyCUDZXVDGFRMUPM-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (CID 580871) is 2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is Clc1ccc(CSc2nc3ncccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is CUDZXVDGFRMUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-10-5-3-9(4-6-10)8-18-13-16-11-2-1-7-15-12(11)17-13/h1-7H,8H2,(H,15,16,17).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 275.76 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 580871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).