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

C18H20N2O3S — CID 4175330

IUPAC1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-12(2)14-10-18(17(23-4)9-13(14)3)24(21,22)20-11-19-15-7-5-6-8-16(15)20/h5-12H,1-4H3
InChIKeyCFPBIIVGANGUIR-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.71
Rot. Bonds4

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

1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole (PubChem CID 4175330) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
PubChem CID4175330
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-12(2)14-10-18(17(23-4)9-13(14)3)24(21,22)20-11-19-15-7-5-6-8-16(15)20/h5-12H,1-4H3
InChIKeyCFPBIIVGANGUIR-UHFFFAOYSA-N
XLogP3.71
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole (CID 4175330) is 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole is COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc2ccccc21.
What is the InChIKey of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole?
The InChIKey is CFPBIIVGANGUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12(2)14-10-18(17(23-4)9-13(14)3)24(21,22)20-11-19-15-7-5-6-8-16(15)20/h5-12H,1-4H3.
What are the key properties of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole?
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole has a molecular weight of 344.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 4175330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).