1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole

C16H16N2O2S — CID 576712

IUPAC1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole
SMILESCc1cc(C)c(S(=O)(=O)n2cnc3ccccc32)c(C)c1
InChIInChI=1S/C16H16N2O2S/c1-11-8-12(2)16(13(3)9-11)21(19,20)18-10-17-14-6-4-5-7-15(14)18/h4-10H,1-3H3
InChIKeyWDVHZXCCKMHVHM-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.20
Rot. Bonds2

About 1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole

1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole (PubChem CID 576712) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole
PubChem CID576712
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole
SMILESCc1cc(C)c(S(=O)(=O)n2cnc3ccccc32)c(C)c1
InChIInChI=1S/C16H16N2O2S/c1-11-8-12(2)16(13(3)9-11)21(19,20)18-10-17-14-6-4-5-7-15(14)18/h4-10H,1-3H3
InChIKeyWDVHZXCCKMHVHM-UHFFFAOYSA-N
XLogP3.20
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole (CID 576712) is 1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole is Cc1cc(C)c(S(=O)(=O)n2cnc3ccccc32)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole?
The InChIKey is WDVHZXCCKMHVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-8-12(2)16(13(3)9-11)21(19,20)18-10-17-14-6-4-5-7-15(14)18/h4-10H,1-3H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole?
1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole has a molecular weight of 300.38 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 576712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).