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

C13H10BrN3S — CID 79296087

IUPAC1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCc1cc(Br)ccc1-n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C13H10BrN3S/c1-8-6-9(14)2-3-11(8)17-12-4-5-15-7-10(12)16-13(17)18/h2-7H,1H3,(H,16,18)
InChIKeyGEVWBGRPTJOJFU-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.15
Rot. Bonds1

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

1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79296087) has the molecular formula C13H10BrN3S and a molecular weight of 320.22 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79296087
Molecular FormulaC13H10BrN3S
Molecular Weight320.22 g/mol
Exact Mass318.98
IUPAC Name1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCc1cc(Br)ccc1-n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C13H10BrN3S/c1-8-6-9(14)2-3-11(8)17-12-4-5-15-7-10(12)16-13(17)18/h2-7H,1H3,(H,16,18)
InChIKeyGEVWBGRPTJOJFU-UHFFFAOYSA-N
XLogP4.15
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.15
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-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 79296087) is 1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione is Cc1cc(Br)ccc1-n1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is GEVWBGRPTJOJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3S/c1-8-6-9(14)2-3-11(8)17-12-4-5-15-7-10(12)16-13(17)18/h2-7H,1H3,(H,16,18).
What are the key properties of 1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 320.22 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79296087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).