2-(2-phenylethylsulfanyl)-1H-benzimidazole

C15H14N2S — CID 752037

IUPAC2-(2-phenylethylsulfanyl)-1H-benzimidazole
SMILESc1ccc(CCSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-11-18-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
InChIKeyYXSILMYONHYNFY-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.90
Rot. Bonds4

About 2-(2-phenylethylsulfanyl)-1H-benzimidazole

2-(2-phenylethylsulfanyl)-1H-benzimidazole (PubChem CID 752037) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(2-phenylethylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-phenylethylsulfanyl)-1H-benzimidazole
PubChem CID752037
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-(2-phenylethylsulfanyl)-1H-benzimidazole
SMILESc1ccc(CCSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-11-18-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
InChIKeyYXSILMYONHYNFY-UHFFFAOYSA-N
XLogP3.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-phenylethylsulfanyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfanyl)-1H-benzimidazole?
The IUPAC name of 2-(2-phenylethylsulfanyl)-1H-benzimidazole (CID 752037) is 2-(2-phenylethylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-phenylethylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-phenylethylsulfanyl)-1H-benzimidazole is c1ccc(CCSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(2-phenylethylsulfanyl)-1H-benzimidazole?
The InChIKey is YXSILMYONHYNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-11-18-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17).
What are the key properties of 2-(2-phenylethylsulfanyl)-1H-benzimidazole?
2-(2-phenylethylsulfanyl)-1H-benzimidazole has a molecular weight of 254.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 752037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).