2-propylsulfanyl-2H-benzimidazole

C10H12N2S — CID 173201991

IUPAC2-propylsulfanyl-2H-benzimidazole
SMILESCCCSC1N=c2ccccc2=N1
InChIInChI=1S/C10H12N2S/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h3-6,10H,2,7H2,1H3
InChIKeyJUOXMMUTUCZNAD-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.37
Rot. Bonds3

About 2-propylsulfanyl-2H-benzimidazole

2-propylsulfanyl-2H-benzimidazole (PubChem CID 173201991) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-propylsulfanyl-2H-benzimidazole.

Molecular Properties

Compound Name2-propylsulfanyl-2H-benzimidazole
PubChem CID173201991
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-propylsulfanyl-2H-benzimidazole
SMILESCCCSC1N=c2ccccc2=N1
InChIInChI=1S/C10H12N2S/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h3-6,10H,2,7H2,1H3
InChIKeyJUOXMMUTUCZNAD-UHFFFAOYSA-N
XLogP1.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-propylsulfanyl-2H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-2H-benzimidazole?
The IUPAC name of 2-propylsulfanyl-2H-benzimidazole (CID 173201991) is 2-propylsulfanyl-2H-benzimidazole.
What is the SMILES notation for 2-propylsulfanyl-2H-benzimidazole?
The canonical SMILES for 2-propylsulfanyl-2H-benzimidazole is CCCSC1N=c2ccccc2=N1.
What is the InChIKey of 2-propylsulfanyl-2H-benzimidazole?
The InChIKey is JUOXMMUTUCZNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h3-6,10H,2,7H2,1H3.
What are the key properties of 2-propylsulfanyl-2H-benzimidazole?
2-propylsulfanyl-2H-benzimidazole has a molecular weight of 192.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-2H-benzimidazole is sourced from PubChem (CID 173201991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).