1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole

C17H18N2O3S — CID 91669949

IUPAC1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole
SMILESCCOc1cc(S(=O)(=O)n2cnc3ccccc32)c(C)cc1C
InChIInChI=1S/C17H18N2O3S/c1-4-22-16-10-17(13(3)9-12(16)2)23(20,21)19-11-18-14-7-5-6-8-15(14)19/h5-11H,4H2,1-3H3
InChIKeyTVDIYMGOUMMFCM-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.29
Rot. Bonds4

About 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole

1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole (PubChem CID 91669949) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole
PubChem CID91669949
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole
SMILESCCOc1cc(S(=O)(=O)n2cnc3ccccc32)c(C)cc1C
InChIInChI=1S/C17H18N2O3S/c1-4-22-16-10-17(13(3)9-12(16)2)23(20,21)19-11-18-14-7-5-6-8-15(14)19/h5-11H,4H2,1-3H3
InChIKeyTVDIYMGOUMMFCM-UHFFFAOYSA-N
XLogP3.29
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxy-3-methylphenyl)sulfonylbenzimidazole
CID 2147477
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
CID 91669948
1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole
CID 15943816
1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole
CID 22200842
1-(3-methyl-4-pentoxyphenyl)sulfonylbenzimidazole
CID 35201738
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole
CID 6464199
1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole
CID 22200837
1-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzimidazole
CID 22200841
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole
CID 71671322
1-(2,4-dibromophenyl)sulfonylbenzimidazole
CID 2849375
1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylbenzotriazole
CID 1243533
1-(4-propylphenyl)sulfonylbenzimidazole
CID 22200833

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole (CID 91669949) is 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole is CCOc1cc(S(=O)(=O)n2cnc3ccccc32)c(C)cc1C.
What is the InChIKey of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole?
The InChIKey is TVDIYMGOUMMFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-4-22-16-10-17(13(3)9-12(16)2)23(20,21)19-11-18-14-7-5-6-8-15(14)19/h5-11H,4H2,1-3H3.
What are the key properties of 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole?
1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole has a molecular weight of 330.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 91669949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).