2-methylsulfanyl-1H-benzimidazole

C8H8N2S — CID 23539

IUPAC2-methylsulfanyl-1H-benzimidazole
SMILESCSc1nc2ccccc2[nH]1
InChIInChI=1S/C8H8N2S/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)
InChIKeyOCKJFOHZLXIAAT-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.28
Rot. Bonds1

About 2-methylsulfanyl-1H-benzimidazole

2-methylsulfanyl-1H-benzimidazole (PubChem CID 23539) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-methylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-methylsulfanyl-1H-benzimidazole
PubChem CID23539
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name2-methylsulfanyl-1H-benzimidazole
SMILESCSc1nc2ccccc2[nH]1
InChIInChI=1S/C8H8N2S/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)
InChIKeyOCKJFOHZLXIAAT-UHFFFAOYSA-N
XLogP2.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methylsulfanyl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzimidazole
CID 5798
Carbendazim
CID 25429
2-Aminobenzimidazole
CID 13624
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
Lobendazole
CID 22752
Benzimidazole, 2-butyl-
CID 22122
2-(Trifluoromethyl)-1H-benzimidazole
CID 67560
2-Ethylbenzimidazole
CID 15807
1H-Benzimidazole-2-methanamine
CID 145820
1-(1H-Benzimidazol-2-yl)ethanone
CID 70322
2-tert-Butylbenzimidazole
CID 32366

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1H-benzimidazole?
The IUPAC name of 2-methylsulfanyl-1H-benzimidazole (CID 23539) is 2-methylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-methylsulfanyl-1H-benzimidazole?
The canonical SMILES for 2-methylsulfanyl-1H-benzimidazole is CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-methylsulfanyl-1H-benzimidazole?
The InChIKey is OCKJFOHZLXIAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10).
What are the key properties of 2-methylsulfanyl-1H-benzimidazole?
2-methylsulfanyl-1H-benzimidazole has a molecular weight of 164.23 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 23539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).