2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole

C13H11N3S — CID 1432221

IUPAC2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole
SMILESCSc1ncccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C13H11N3S/c1-17-13-9(5-4-8-14-13)12-15-10-6-2-3-7-11(10)16-12/h2-8H,1H3,(H,15,16)
InChIKeyRTRVKVQFVQUKSO-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.35
Rot. Bonds2

About 2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole

2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole (PubChem CID 1432221) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole
PubChem CID1432221
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole
SMILESCSc1ncccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C13H11N3S/c1-17-13-9(5-4-8-14-13)12-15-10-6-2-3-7-11(10)16-12/h2-8H,1H3,(H,15,16)
InChIKeyRTRVKVQFVQUKSO-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole (CID 1432221) is 2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole is CSc1ncccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole?
The InChIKey is RTRVKVQFVQUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-17-13-9(5-4-8-14-13)12-15-10-6-2-3-7-11(10)16-12/h2-8H,1H3,(H,15,16).
What are the key properties of 2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole?
2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole has a molecular weight of 241.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanyl-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 1432221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).