3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine

C20H15ClFN3S — CID 20886912

IUPAC3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESFc1cccc(Cl)c1CSc1nc2ccncc2n1Cc1ccccc1
InChIInChI=1S/C20H15ClFN3S/c21-16-7-4-8-17(22)15(16)13-26-20-24-18-9-10-23-11-19(18)25(20)12-14-5-2-1-3-6-14/h1-11H,12-13H2
InChIKeyXRKVUMVENCCZOT-UHFFFAOYSA-N
MW383.88 g/mol
LogP5.56
Rot. Bonds5

About 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine

3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine (PubChem CID 20886912) has the molecular formula C20H15ClFN3S and a molecular weight of 383.88 g/mol. Its IUPAC name is 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine
PubChem CID20886912
Molecular FormulaC20H15ClFN3S
Molecular Weight383.88 g/mol
Exact Mass383.07
IUPAC Name3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESFc1cccc(Cl)c1CSc1nc2ccncc2n1Cc1ccccc1
InChIInChI=1S/C20H15ClFN3S/c21-16-7-4-8-17(22)15(16)13-26-20-24-18-9-10-23-11-19(18)25(20)12-14-5-2-1-3-6-14/h1-11H,12-13H2
InChIKeyXRKVUMVENCCZOT-UHFFFAOYSA-N
XLogP5.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine (CID 20886912) is 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine is Fc1cccc(Cl)c1CSc1nc2ccncc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The InChIKey is XRKVUMVENCCZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3S/c21-16-7-4-8-17(22)15(16)13-26-20-24-18-9-10-23-11-19(18)25(20)12-14-5-2-1-3-6-14/h1-11H,12-13H2.
What are the key properties of 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine has a molecular weight of 383.88 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 20886912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).