2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine

C13H10ClN3S — CID 4058809

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
SMILESClc1ccccc1CSc1nc2ccncc2[nH]1
InChIInChI=1S/C13H10ClN3S/c14-10-4-2-1-3-9(10)8-18-13-16-11-5-6-15-7-12(11)17-13/h1-7H,8H2,(H,16,17)
InChIKeyDAMIUILYPJDMRQ-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.90
Rot. Bonds3

About 2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine

2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine (PubChem CID 4058809) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
PubChem CID4058809
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
SMILESClc1ccccc1CSc1nc2ccncc2[nH]1
InChIInChI=1S/C13H10ClN3S/c14-10-4-2-1-3-9(10)8-18-13-16-11-5-6-15-7-12(11)17-13/h1-7H,8H2,(H,16,17)
InChIKeyDAMIUILYPJDMRQ-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-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine (CID 4058809) is 2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine is Clc1ccccc1CSc1nc2ccncc2[nH]1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is DAMIUILYPJDMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-10-4-2-1-3-9(10)8-18-13-16-11-5-6-15-7-12(11)17-13/h1-7H,8H2,(H,16,17).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine?
2-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]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-[(2-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 4058809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).