1-(phenylsulfanylmethyl)benzimidazole

C14H12N2S — CID 1042754

IUPAC1-(phenylsulfanylmethyl)benzimidazole
SMILESc1ccc(SCn2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2S/c1-2-6-12(7-3-1)17-11-16-10-15-13-8-4-5-9-14(13)16/h1-10H,11H2
InChIKeyRRYJSZIRNLXJPC-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.79
Rot. Bonds3

About 1-(phenylsulfanylmethyl)benzimidazole

1-(phenylsulfanylmethyl)benzimidazole (PubChem CID 1042754) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(phenylsulfanylmethyl)benzimidazole.

Molecular Properties

Compound Name1-(phenylsulfanylmethyl)benzimidazole
PubChem CID1042754
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name1-(phenylsulfanylmethyl)benzimidazole
SMILESc1ccc(SCn2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2S/c1-2-6-12(7-3-1)17-11-16-10-15-13-8-4-5-9-14(13)16/h1-10H,11H2
InChIKeyRRYJSZIRNLXJPC-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-(butylsulfanylmethyl)benzimidazole
CID 4304990
1-[3-(4-chlorophenyl)sulfanylpropyl]benzimidazole
CID 2966362
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide
CID 34327055
methyl 3-(benzimidazol-1-yl)-2-phenylpropanoate
CID 64567462
1-phenylsulfanylbenzimidazole
CID 13096820
1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
O-methyl 2-(benzimidazol-1-yl)ethanethioate
CID 88781568

Frequently Asked Questions

What is the IUPAC name of 1-(phenylsulfanylmethyl)benzimidazole?
The IUPAC name of 1-(phenylsulfanylmethyl)benzimidazole (CID 1042754) is 1-(phenylsulfanylmethyl)benzimidazole.
What is the SMILES notation for 1-(phenylsulfanylmethyl)benzimidazole?
The canonical SMILES for 1-(phenylsulfanylmethyl)benzimidazole is c1ccc(SCn2cnc3ccccc32)cc1.
What is the InChIKey of 1-(phenylsulfanylmethyl)benzimidazole?
The InChIKey is RRYJSZIRNLXJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-6-12(7-3-1)17-11-16-10-15-13-8-4-5-9-14(13)16/h1-10H,11H2.
What are the key properties of 1-(phenylsulfanylmethyl)benzimidazole?
1-(phenylsulfanylmethyl)benzimidazole has a molecular weight of 240.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylsulfanylmethyl)benzimidazole is sourced from PubChem (CID 1042754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).