1-(4-methylphenyl)sulfanylbenzimidazole

C14H12N2S — CID 174957197

IUPAC1-(4-methylphenyl)sulfanylbenzimidazole
SMILESCc1ccc(Sn2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2S/c1-11-6-8-12(9-7-11)17-16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
InChIKeyMAKVAVVFPVAFRJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.90
Rot. Bonds2

About 1-(4-methylphenyl)sulfanylbenzimidazole

1-(4-methylphenyl)sulfanylbenzimidazole (PubChem CID 174957197) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanylbenzimidazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanylbenzimidazole
PubChem CID174957197
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name1-(4-methylphenyl)sulfanylbenzimidazole
SMILESCc1ccc(Sn2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2S/c1-11-6-8-12(9-7-11)17-16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
InChIKeyMAKVAVVFPVAFRJ-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylsulfanylbenzimidazole
CID 13096820
1-(4-methylphenyl)sulfanylpyrrolo[3,2-b]pyridine
CID 145005659
benzimidazol-1-yl-(4-methylphenyl)methanone
CID 710618
1-benzylsulfanylbenzimidazole
CID 22394082
1-prop-2-enylsulfanylbenzimidazole
CID 67218633
CID 172839062
CID 172839062
1-(prop-2-enyldisulfanyl)benzimidazole
CID 87577952
4-(benzimidazol-1-ylsulfanyl)butan-1-ol
CID 57260170
1-(2,4-dinitrophenyl)sulfanylbenzimidazole
CID 86169122
(E)-3-(benzimidazol-1-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 13164566
N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide
CID 121222107
2,2-dimethylpropane;1-methylbenzimidazole
CID 167554382

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanylbenzimidazole?
The IUPAC name of 1-(4-methylphenyl)sulfanylbenzimidazole (CID 174957197) is 1-(4-methylphenyl)sulfanylbenzimidazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfanylbenzimidazole?
The canonical SMILES for 1-(4-methylphenyl)sulfanylbenzimidazole is Cc1ccc(Sn2cnc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanylbenzimidazole?
The InChIKey is MAKVAVVFPVAFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-11-6-8-12(9-7-11)17-16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfanylbenzimidazole?
1-(4-methylphenyl)sulfanylbenzimidazole has a molecular weight of 240.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanylbenzimidazole is sourced from PubChem (CID 174957197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).