1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole

C17H18N2O3S — CID 969691

IUPAC1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)n1c(C)nc2ccccc21
InChIInChI=1S/C17H18N2O3S/c1-11-9-16(22-4)17(10-12(11)2)23(20,21)19-13(3)18-14-7-5-6-8-15(14)19/h5-10H,1-4H3
InChIKeyADAJFMIXGOBINJ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.21
Rot. Bonds3

About 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole

1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole (PubChem CID 969691) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole
PubChem CID969691
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)n1c(C)nc2ccccc21
InChIInChI=1S/C17H18N2O3S/c1-11-9-16(22-4)17(10-12(11)2)23(20,21)19-13(3)18-14-7-5-6-8-15(14)19/h5-10H,1-4H3
InChIKeyADAJFMIXGOBINJ-UHFFFAOYSA-N
XLogP3.21
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole (CID 969691) is 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole is COc1cc(C)c(C)cc1S(=O)(=O)n1c(C)nc2ccccc21.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole?
The InChIKey is ADAJFMIXGOBINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-9-16(22-4)17(10-12(11)2)23(20,21)19-13(3)18-14-7-5-6-8-15(14)19/h5-10H,1-4H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole?
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole has a molecular weight of 330.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylbenzimidazole is sourced from PubChem (CID 969691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).