2-(phenylsulfanylmethyl)-1H-benzimidazole

C14H12N2S — CID 1486498

IUPAC2-(phenylsulfanylmethyl)-1H-benzimidazole
SMILESc1ccc(SCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H12N2S/c1-2-6-11(7-3-1)17-10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
InChIKeyMAXQKPNEYWTEHI-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.86
Rot. Bonds3

About 2-(phenylsulfanylmethyl)-1H-benzimidazole

2-(phenylsulfanylmethyl)-1H-benzimidazole (PubChem CID 1486498) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(phenylsulfanylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(phenylsulfanylmethyl)-1H-benzimidazole
PubChem CID1486498
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2-(phenylsulfanylmethyl)-1H-benzimidazole
SMILESc1ccc(SCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H12N2S/c1-2-6-11(7-3-1)17-10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
InChIKeyMAXQKPNEYWTEHI-UHFFFAOYSA-N
XLogP3.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylsulfanylmethyl)-1H-benzimidazole?
The IUPAC name of 2-(phenylsulfanylmethyl)-1H-benzimidazole (CID 1486498) is 2-(phenylsulfanylmethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(phenylsulfanylmethyl)-1H-benzimidazole?
The canonical SMILES for 2-(phenylsulfanylmethyl)-1H-benzimidazole is c1ccc(SCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(phenylsulfanylmethyl)-1H-benzimidazole?
The InChIKey is MAXQKPNEYWTEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-6-11(7-3-1)17-10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16).
What are the key properties of 2-(phenylsulfanylmethyl)-1H-benzimidazole?
2-(phenylsulfanylmethyl)-1H-benzimidazole has a molecular weight of 240.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylsulfanylmethyl)-1H-benzimidazole is sourced from PubChem (CID 1486498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).