2-(3-methylsulfanylphenyl)-1H-benzimidazole

C14H12N2S — CID 168553583

IUPAC2-(3-methylsulfanylphenyl)-1H-benzimidazole
SMILESCSc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12N2S/c1-17-11-6-4-5-10(9-11)14-15-12-7-2-3-8-13(12)16-14/h2-9H,1H3,(H,15,16)
InChIKeyALFWGSPEENUUBQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.95
Rot. Bonds2

About 2-(3-methylsulfanylphenyl)-1H-benzimidazole

2-(3-methylsulfanylphenyl)-1H-benzimidazole (PubChem CID 168553583) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(3-methylsulfanylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-methylsulfanylphenyl)-1H-benzimidazole
PubChem CID168553583
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2-(3-methylsulfanylphenyl)-1H-benzimidazole
SMILESCSc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12N2S/c1-17-11-6-4-5-10(9-11)14-15-12-7-2-3-8-13(12)16-14/h2-9H,1H3,(H,15,16)
InChIKeyALFWGSPEENUUBQ-UHFFFAOYSA-N
XLogP3.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-butylsulfanylphenyl)-1H-benzimidazole
CID 168553699
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586804
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole
CID 168553508

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylphenyl)-1H-benzimidazole?
The IUPAC name of 2-(3-methylsulfanylphenyl)-1H-benzimidazole (CID 168553583) is 2-(3-methylsulfanylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-methylsulfanylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(3-methylsulfanylphenyl)-1H-benzimidazole is CSc1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(3-methylsulfanylphenyl)-1H-benzimidazole?
The InChIKey is ALFWGSPEENUUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-17-11-6-4-5-10(9-11)14-15-12-7-2-3-8-13(12)16-14/h2-9H,1H3,(H,15,16).
What are the key properties of 2-(3-methylsulfanylphenyl)-1H-benzimidazole?
2-(3-methylsulfanylphenyl)-1H-benzimidazole has a molecular weight of 240.33 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylphenyl)-1H-benzimidazole is sourced from PubChem (CID 168553583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).