1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole

C17H17ClN2O3S — CID 1288960

IUPAC1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C17H17ClN2O3S/c1-4-23-16-6-5-13(18)9-17(16)24(21,22)20-10-19-14-7-11(2)12(3)8-15(14)20/h5-10H,4H2,1-3H3
InChIKeyAGZGIPXMMPWBJH-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.94
Rot. Bonds4

About 1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole

1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole (PubChem CID 1288960) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
PubChem CID1288960
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C17H17ClN2O3S/c1-4-23-16-6-5-13(18)9-17(16)24(21,22)20-10-19-14-7-11(2)12(3)8-15(14)20/h5-10H,4H2,1-3H3
InChIKeyAGZGIPXMMPWBJH-UHFFFAOYSA-N
XLogP3.94
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole (CID 1288960) is 1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole is CCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21.
What is the InChIKey of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The InChIKey is AGZGIPXMMPWBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-4-23-16-6-5-13(18)9-17(16)24(21,22)20-10-19-14-7-11(2)12(3)8-15(14)20/h5-10H,4H2,1-3H3.
What are the key properties of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole has a molecular weight of 364.85 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole is sourced from PubChem (CID 1288960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).