1-(2,4-dimethylphenyl)sulfonylbenzimidazole

C15H14N2O2S — CID 712653

IUPAC1-(2,4-dimethylphenyl)sulfonylbenzimidazole
SMILESCc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1
InChIInChI=1S/C15H14N2O2S/c1-11-7-8-15(12(2)9-11)20(18,19)17-10-16-13-5-3-4-6-14(13)17/h3-10H,1-2H3
InChIKeyYMYLBGNWDUXSMG-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.89
Rot. Bonds2

About 1-(2,4-dimethylphenyl)sulfonylbenzimidazole

1-(2,4-dimethylphenyl)sulfonylbenzimidazole (PubChem CID 712653) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonylbenzimidazole
PubChem CID712653
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name1-(2,4-dimethylphenyl)sulfonylbenzimidazole
SMILESCc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1
InChIInChI=1S/C15H14N2O2S/c1-11-7-8-15(12(2)9-11)20(18,19)17-10-16-13-5-3-4-6-14(13)17/h3-10H,1-2H3
InChIKeyYMYLBGNWDUXSMG-UHFFFAOYSA-N
XLogP2.89
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonylbenzimidazole (CID 712653) is 1-(2,4-dimethylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonylbenzimidazole is Cc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonylbenzimidazole?
The InChIKey is YMYLBGNWDUXSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-7-8-15(12(2)9-11)20(18,19)17-10-16-13-5-3-4-6-14(13)17/h3-10H,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonylbenzimidazole?
1-(2,4-dimethylphenyl)sulfonylbenzimidazole has a molecular weight of 286.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 712653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).