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

C15H15N3S — CID 79295643

IUPAC1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCCCc1ccc(-n2c(=S)[nH]c3cnccc32)cc1
InChIInChI=1S/C15H15N3S/c1-2-3-11-4-6-12(7-5-11)18-14-8-9-16-10-13(14)17-15(18)19/h4-10H,2-3H2,1H3,(H,17,19)
InChIKeyRKCXZTSFSDGTDA-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.04
Rot. Bonds3

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

1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79295643) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79295643
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCCCc1ccc(-n2c(=S)[nH]c3cnccc32)cc1
InChIInChI=1S/C15H15N3S/c1-2-3-11-4-6-12(7-5-11)18-14-8-9-16-10-13(14)17-15(18)19/h4-10H,2-3H2,1H3,(H,17,19)
InChIKeyRKCXZTSFSDGTDA-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
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-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 79295643) is 1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione is CCCc1ccc(-n2c(=S)[nH]c3cnccc32)cc1.
What is the InChIKey of 1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is RKCXZTSFSDGTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-3-11-4-6-12(7-5-11)18-14-8-9-16-10-13(14)17-15(18)19/h4-10H,2-3H2,1H3,(H,17,19).
What are the key properties of 1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 269.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79295643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).