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

C15H15BrN2S — CID 134106203

IUPAC2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
SMILESBr.c1ccc(CCSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2S.BrH/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);1H
InChIKeyTXLLOFAGSRJDQO-UHFFFAOYSA-N
MW335.27 g/mol
LogP4.48
Rot. Bonds4

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

2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide (PubChem CID 134106203) has the molecular formula C15H15BrN2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide.

Molecular Properties

Compound Name2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
PubChem CID134106203
Molecular FormulaC15H15BrN2S
Molecular Weight335.27 g/mol
Exact Mass334.01
IUPAC Name2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
SMILESBr.c1ccc(CCSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2S.BrH/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);1H
InChIKeyTXLLOFAGSRJDQO-UHFFFAOYSA-N
XLogP4.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-(1H-benzimidazol-2-ylsulfanyl)hexanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide?
The IUPAC name of 2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide (CID 134106203) is 2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide.
What is the SMILES notation for 2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide?
The canonical SMILES for 2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide is Br.c1ccc(CCSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide?
The InChIKey is TXLLOFAGSRJDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S.BrH/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);1H.
What are the key properties of 2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide?
2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide has a molecular weight of 335.27 g/mol, XLogP of 4.48, 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;hydrobromide is sourced from PubChem (CID 134106203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).