1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione

C15H15N3S — CID 79756408

IUPAC1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCc1ccccc1CCn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C15H15N3S/c1-11-4-2-3-5-12(11)7-9-18-14-6-8-16-10-13(14)17-15(18)19/h2-6,8,10H,7,9H2,1H3,(H,17,19)
InChIKeyJQPTUOAYRFLDMI-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.65
Rot. Bonds3

About 1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione

1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79756408) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79756408
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCc1ccccc1CCn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C15H15N3S/c1-11-4-2-3-5-12(11)7-9-18-14-6-8-16-10-13(14)17-15(18)19/h2-6,8,10H,7,9H2,1H3,(H,17,19)
InChIKeyJQPTUOAYRFLDMI-UHFFFAOYSA-N
XLogP3.65
TPSA33.61 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione (CID 79756408) is 1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione is Cc1ccccc1CCn1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is JQPTUOAYRFLDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-4-2-3-5-12(11)7-9-18-14-6-8-16-10-13(14)17-15(18)19/h2-6,8,10H,7,9H2,1H3,(H,17,19).
What are the key properties of 1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 269.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79756408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).