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

C15H15N3S — CID 20890494

IUPAC2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
SMILESCc1ccc(C)c(CSc2nc3ccncc3[nH]2)c1
InChIInChI=1S/C15H15N3S/c1-10-3-4-11(2)12(7-10)9-19-15-17-13-5-6-16-8-14(13)18-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyJIDPSCWBXNMQTH-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.87
Rot. Bonds3

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

2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine (PubChem CID 20890494) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
PubChem CID20890494
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
SMILESCc1ccc(C)c(CSc2nc3ccncc3[nH]2)c1
InChIInChI=1S/C15H15N3S/c1-10-3-4-11(2)12(7-10)9-19-15-17-13-5-6-16-8-14(13)18-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyJIDPSCWBXNMQTH-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine (CID 20890494) is 2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine is Cc1ccc(C)c(CSc2nc3ccncc3[nH]2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is JIDPSCWBXNMQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-3-4-11(2)12(7-10)9-19-15-17-13-5-6-16-8-14(13)18-15/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine?
2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 269.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 20890494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).