1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole

C19H22N2O3S — CID 91669948

IUPAC1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-5-24-18-10-14(4)15(13(2)3)11-19(18)25(22,23)21-12-20-16-8-6-7-9-17(16)21/h6-13H,5H2,1-4H3
InChIKeyQTMSMGMAIHPELD-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.10
Rot. Bonds5

About 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole

1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole (PubChem CID 91669948) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
PubChem CID91669948
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-5-24-18-10-14(4)15(13(2)3)11-19(18)25(22,23)21-12-20-16-8-6-7-9-17(16)21/h6-13H,5H2,1-4H3
InChIKeyQTMSMGMAIHPELD-UHFFFAOYSA-N
XLogP4.10
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole (CID 91669948) is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc2ccccc21.
What is the InChIKey of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole?
The InChIKey is QTMSMGMAIHPELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-5-24-18-10-14(4)15(13(2)3)11-19(18)25(22,23)21-12-20-16-8-6-7-9-17(16)21/h6-13H,5H2,1-4H3.
What are the key properties of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole?
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole has a molecular weight of 358.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 91669948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).