2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine

C13H13N3S — CID 79796382

IUPAC2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(-c3cc(C)c(C)s3)[nH]c2c1
InChIInChI=1S/C13H13N3S/c1-7-4-10-12(14-6-7)16-13(15-10)11-5-8(2)9(3)17-11/h4-6H,1-3H3,(H,14,15,16)
InChIKeySBWCKZVXVXVPHW-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.61
Rot. Bonds1

About 2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine

2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 79796382) has the molecular formula C13H13N3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID79796382
Molecular FormulaC13H13N3S
Molecular Weight243.33 g/mol
Exact Mass243.08
IUPAC Name2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(-c3cc(C)c(C)s3)[nH]c2c1
InChIInChI=1S/C13H13N3S/c1-7-4-10-12(14-6-7)16-13(15-10)11-5-8(2)9(3)17-11/h4-6H,1-3H3,(H,14,15,16)
InChIKeySBWCKZVXVXVPHW-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Ethyl-2-pyridyl)benzimidazole
CID 49746
2-(5-Methyl-2-thienyl)-1H-benzimidazole
CID 870214
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
Ikk-IN-3
CID 10215156
N,4,12-trimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823920
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
N-(2-Aminoethyl)-5-{2-Methyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl}thiophene-2-Sulfonamide
CID 25118862
12-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 44546167

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine (CID 79796382) is 2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine is Cc1cnc2nc(-c3cc(C)c(C)s3)[nH]c2c1.
What is the InChIKey of 2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is SBWCKZVXVXVPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-7-4-10-12(14-6-7)16-13(15-10)11-5-8(2)9(3)17-11/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of 2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine?
2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 243.33 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylthiophen-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79796382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).