2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine

C17H13N3S — CID 54117312

IUPAC2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine
SMILESCSc1c(-c2nc3ccncc3[nH]2)ccc2ccccc12
InChIInChI=1S/C17H13N3S/c1-21-16-12-5-3-2-4-11(12)6-7-13(16)17-19-14-8-9-18-10-15(14)20-17/h2-10H,1H3,(H,19,20)
InChIKeyNLFNFYQFUCLESY-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.50
Rot. Bonds2

About 2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine

2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 54117312) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine
PubChem CID54117312
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine
SMILESCSc1c(-c2nc3ccncc3[nH]2)ccc2ccccc12
InChIInChI=1S/C17H13N3S/c1-21-16-12-5-3-2-4-11(12)6-7-13(16)17-19-14-8-9-18-10-15(14)20-17/h2-10H,1H3,(H,19,20)
InChIKeyNLFNFYQFUCLESY-UHFFFAOYSA-N
XLogP4.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine (CID 54117312) is 2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine is CSc1c(-c2nc3ccncc3[nH]2)ccc2ccccc12.
What is the InChIKey of 2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is NLFNFYQFUCLESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-21-16-12-5-3-2-4-11(12)6-7-13(16)17-19-14-8-9-18-10-15(14)20-17/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine?
2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 291.38 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfanylnaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 54117312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).