5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole

C13H14N4OS — CID 142626045

IUPAC5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole
SMILESCOc1ccc2[nH]c(-c3ccnn3C)nc2c1SC
InChIInChI=1S/C13H14N4OS/c1-17-9(6-7-14-17)13-15-8-4-5-10(18-2)12(19-3)11(8)16-13/h4-7H,1-3H3,(H,15,16)
InChIKeyALIKHFWVTRAXLQ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.69
Rot. Bonds3

About 5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole

5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole (PubChem CID 142626045) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole
PubChem CID142626045
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole
SMILESCOc1ccc2[nH]c(-c3ccnn3C)nc2c1SC
InChIInChI=1S/C13H14N4OS/c1-17-9(6-7-14-17)13-15-8-4-5-10(18-2)12(19-3)11(8)16-13/h4-7H,1-3H3,(H,15,16)
InChIKeyALIKHFWVTRAXLQ-UHFFFAOYSA-N
XLogP2.69
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole?
The IUPAC name of 5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole (CID 142626045) is 5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole?
The canonical SMILES for 5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole is COc1ccc2[nH]c(-c3ccnn3C)nc2c1SC.
What is the InChIKey of 5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole?
The InChIKey is ALIKHFWVTRAXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-17-9(6-7-14-17)13-15-8-4-5-10(18-2)12(19-3)11(8)16-13/h4-7H,1-3H3,(H,15,16).
What are the key properties of 5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole?
5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole has a molecular weight of 274.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylpyrazol-3-yl)-4-methylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 142626045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).