1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole

C20H24N2O3S — CID 35202176

IUPAC1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCCCOc1cc(C)c(C)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C20H24N2O3S/c1-6-7-25-19-10-15(4)16(5)11-20(19)26(23,24)22-12-21-17-8-13(2)14(3)9-18(17)22/h8-12H,6-7H2,1-5H3
InChIKeyVYVCFSBUXBLBFS-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.30
Rot. Bonds5

About 1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole

1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole (PubChem CID 35202176) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
PubChem CID35202176
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCCCOc1cc(C)c(C)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C20H24N2O3S/c1-6-7-25-19-10-15(4)16(5)11-20(19)26(23,24)22-12-21-17-8-13(2)14(3)9-18(17)22/h8-12H,6-7H2,1-5H3
InChIKeyVYVCFSBUXBLBFS-UHFFFAOYSA-N
XLogP4.30
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 673991
1-(2-Ethoxy-5-methylphenyl)sulfonylbenzimidazole
CID 850116
1-(2-Methoxy-5-methylphenyl)sulfonylbenzimidazole
CID 686062
1-(4-Ethoxy-benzenesulfonyl)-5,6-dimethyl-1H-benzoimidazole
CID 645879
1-(2,5-Dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 700152
1-(4-Methoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 743799
1-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl]-1H-benzimidazole
CID 1243561
1-[3-(3,4-Dimethylphenoxy)propyl]-2-ethyl-6-methyl-benzimidazole
CID 122190777
6-[3-(Difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylbenzimidazole
CID 155553715
1-(4-Methoxy-2-methyl-benzenesulfonyl)-1H-benzoimidazole
CID 778421
1-(2-Methoxy-4,5-dimethyl-benzenesulfonyl)-2-methyl-1H-benzoimidazole
CID 969691
1-(5-Chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 1288960

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole (CID 35202176) is 1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole is CCCOc1cc(C)c(C)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21.
What is the InChIKey of 1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The InChIKey is VYVCFSBUXBLBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-6-7-25-19-10-15(4)16(5)11-20(19)26(23,24)22-12-21-17-8-13(2)14(3)9-18(17)22/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole has a molecular weight of 372.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole is sourced from PubChem (CID 35202176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).