1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole

C17H18N2O3S — CID 645879

IUPAC1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C17H18N2O3S/c1-4-22-14-5-7-15(8-6-14)23(20,21)19-11-18-16-9-12(2)13(3)10-17(16)19/h5-11H,4H2,1-3H3
InChIKeyMMVKPVIRJVGLCR-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.29
Rot. Bonds4

About 1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole

1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole (PubChem CID 645879) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
PubChem CID645879
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C17H18N2O3S/c1-4-22-14-5-7-15(8-6-14)23(20,21)19-11-18-16-9-12(2)13(3)10-17(16)19/h5-11H,4H2,1-3H3
InChIKeyMMVKPVIRJVGLCR-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

5-Methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole
CID 134179631
1-(4-Methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 673991
1-(4-Ethoxyphenyl)sulfonylbenzimidazole
CID 846993
1-(2-Ethoxy-5-methylphenyl)sulfonylbenzimidazole
CID 850116
1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole
CID 1583575
1-(4-Methoxyphenyl)sulfonylbenzimidazole;hydrochloride
CID 23724233
5,6-dimethyl-1-(2-phenoxyethyl)-1H-1,3-benzodiazole
CID 962404
N-[1-(4-methoxybenzyl)-5,6-dimethyl-1H-1,3-benzimidazol-4-yl]methanesulfonamide
CID 1479154
2-[2-[(E)-2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008035
1-(2-Methoxy-5-methylphenyl)sulfonylbenzimidazole
CID 686062
1-(3,4-Dimethoxy-benzenesulfonyl)-1H-benzoimidazole
CID 684712
1-(2,5-Dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 700152

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole (CID 645879) is 1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole is CCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The InChIKey is MMVKPVIRJVGLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-4-22-14-5-7-15(8-6-14)23(20,21)19-11-18-16-9-12(2)13(3)10-17(16)19/h5-11H,4H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
1-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole 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-(4-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole is sourced from PubChem (CID 645879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).