6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole

C14H13N3S — CID 3012527

IUPAC6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
SMILESCc1ccc2nc(SCc3ccccn3)[nH]c2c1
InChIInChI=1S/C14H13N3S/c1-10-5-6-12-13(8-10)17-14(16-12)18-9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyRRLQDVNNRUSNKR-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.56
Rot. Bonds3

About 6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole

6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole (PubChem CID 3012527) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
PubChem CID3012527
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
SMILESCc1ccc2nc(SCc3ccccn3)[nH]c2c1
InChIInChI=1S/C14H13N3S/c1-10-5-6-12-13(8-10)17-14(16-12)18-9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyRRLQDVNNRUSNKR-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole (CID 3012527) is 6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole is Cc1ccc2nc(SCc3ccccn3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole?
The InChIKey is RRLQDVNNRUSNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-5-6-12-13(8-10)17-14(16-12)18-9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole?
6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole has a molecular weight of 255.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 3012527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).