1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole

C20H24N2O3S — CID 71671322

IUPAC1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1c(C)nc2ccccc21
InChIInChI=1S/C20H24N2O3S/c1-6-25-19-11-14(4)16(13(2)3)12-20(19)26(23,24)22-15(5)21-17-9-7-8-10-18(17)22/h7-13H,6H2,1-5H3
InChIKeySZCNWHWTLQRZPE-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.41
Rot. Bonds5

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

1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole (PubChem CID 71671322) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole
PubChem CID71671322
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1c(C)nc2ccccc21
InChIInChI=1S/C20H24N2O3S/c1-6-25-19-11-14(4)16(13(2)3)12-20(19)26(23,24)22-15(5)21-17-9-7-8-10-18(17)22/h7-13H,6H2,1-5H3
InChIKeySZCNWHWTLQRZPE-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
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)sulfonyl-2-methylbenzimidazole?
The IUPAC name of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole (CID 71671322) is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole.
What is the SMILES notation for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole?
The canonical SMILES for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1c(C)nc2ccccc21.
What is the InChIKey of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole?
The InChIKey is SZCNWHWTLQRZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-6-25-19-11-14(4)16(13(2)3)12-20(19)26(23,24)22-15(5)21-17-9-7-8-10-18(17)22/h7-13H,6H2,1-5H3.
What are the key properties of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole?
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methylbenzimidazole has a molecular weight of 372.49 g/mol, XLogP of 4.41, 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)sulfonyl-2-methylbenzimidazole is sourced from PubChem (CID 71671322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).