2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole

C16H16N2O2S — CID 1160276

IUPAC2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole
SMILESCc1ccc(S(=O)(=O)n2c(C)nc3cc(C)ccc32)cc1
InChIInChI=1S/C16H16N2O2S/c1-11-4-7-14(8-5-11)21(19,20)18-13(3)17-15-10-12(2)6-9-16(15)18/h4-10H,1-3H3
InChIKeyDTJKBYPLIBIIRN-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.20
Rot. Bonds2

About 2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole

2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole (PubChem CID 1160276) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole
PubChem CID1160276
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole
SMILESCc1ccc(S(=O)(=O)n2c(C)nc3cc(C)ccc32)cc1
InChIInChI=1S/C16H16N2O2S/c1-11-4-7-14(8-5-11)21(19,20)18-13(3)17-15-10-12(2)6-9-16(15)18/h4-10H,1-3H3
InChIKeyDTJKBYPLIBIIRN-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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Related Compounds

1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
CID 1088438
Enviroxime
CID 5748733
Enviradene
CID 6435398
1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole
CID 804705
2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 685518
2-Methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 755364
Zinviroxime
CID 5361910
BI6015
CID 3269393
1-(Mesitylsulfonyl)-1H-benzimidazole
CID 576712
1-(Toluene-4-sulfonyl)-1H-benzoimidazole
CID 746711
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 780101
1-(4-Fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 755179

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole?
The IUPAC name of 2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole (CID 1160276) is 2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole is Cc1ccc(S(=O)(=O)n2c(C)nc3cc(C)ccc32)cc1.
What is the InChIKey of 2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole?
The InChIKey is DTJKBYPLIBIIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-4-7-14(8-5-11)21(19,20)18-13(3)17-15-10-12(2)6-9-16(15)18/h4-10H,1-3H3.
What are the key properties of 2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole?
2,5-dimethyl-1-(4-methylphenyl)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 2,5-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 1160276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).