3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C14H12BrN3S — CID 107584319

IUPAC3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cc(Br)cc(-n2c(=S)[nH]c3c(C)ccnc32)c1
InChIInChI=1S/C14H12BrN3S/c1-8-5-10(15)7-11(6-8)18-13-12(17-14(18)19)9(2)3-4-16-13/h3-7H,1-2H3,(H,17,19)
InChIKeyQVRMTRXSAUBLIY-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.46
Rot. Bonds1

About 3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 107584319) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID107584319
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cc(Br)cc(-n2c(=S)[nH]c3c(C)ccnc32)c1
InChIInChI=1S/C14H12BrN3S/c1-8-5-10(15)7-11(6-8)18-13-12(17-14(18)19)9(2)3-4-16-13/h3-7H,1-2H3,(H,17,19)
InChIKeyQVRMTRXSAUBLIY-UHFFFAOYSA-N
XLogP4.46
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-5-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107584342
7-methyl-3-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288006
3-(2-bromo-5-chlorophenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81281096
3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288566
6-(3-bromo-5-methylphenyl)-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 107584318
3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288708
3-bromo-4-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 107791586
3-(4-chloro-2-fluorophenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288500
3-(3-bromo-5-methylphenyl)-4-methyl-1H-imidazole-2-thione
CID 107576722
3-(3-bromo-5-methylphenyl)-4,5-difluoro-1H-benzimidazole-2-thione
CID 107584314
7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288995
3-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 107576170

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 107584319) is 3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1cc(Br)cc(-n2c(=S)[nH]c3c(C)ccnc32)c1.
What is the InChIKey of 3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is QVRMTRXSAUBLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-8-5-10(15)7-11(6-8)18-13-12(17-14(18)19)9(2)3-4-16-13/h3-7H,1-2H3,(H,17,19).
What are the key properties of 3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 334.24 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 107584319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).