2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine

C21H15N3S — CID 23026115

IUPAC2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3ncc(-c4cccc5ccccc45)cc3[nH]2)s1
InChIInChI=1S/C21H15N3S/c1-13-9-10-19(25-13)21-23-18-11-15(12-22-20(18)24-21)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,22,23,24)
InChIKeyBAWIDAJNAHBRIH-UHFFFAOYSA-N
MW341.44 g/mol
LogP5.82
Rot. Bonds2

About 2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine

2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 23026115) has the molecular formula C21H15N3S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
PubChem CID23026115
Molecular FormulaC21H15N3S
Molecular Weight341.44 g/mol
Exact Mass341.10
IUPAC Name2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3ncc(-c4cccc5ccccc45)cc3[nH]2)s1
InChIInChI=1S/C21H15N3S/c1-13-9-10-19(25-13)21-23-18-11-15(12-22-20(18)24-21)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,22,23,24)
InChIKeyBAWIDAJNAHBRIH-UHFFFAOYSA-N
XLogP5.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine (CID 23026115) is 2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine is Cc1ccc(-c2nc3ncc(-c4cccc5ccccc45)cc3[nH]2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is BAWIDAJNAHBRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3S/c1-13-9-10-19(25-13)21-23-18-11-15(12-22-20(18)24-21)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,22,23,24).
What are the key properties of 2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine?
2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 341.44 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23026115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).