1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole

C18H20N2O3S — CID 15943816

IUPAC1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole
SMILESCCCOc1cc(C)c(C)cc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-4-9-23-17-10-13(2)14(3)11-18(17)24(21,22)20-12-19-15-7-5-6-8-16(15)20/h5-8,10-12H,4,9H2,1-3H3
InChIKeyKOZIJUKMBUTMIS-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.68
Rot. Bonds5

About 1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole

1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole (PubChem CID 15943816) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole
PubChem CID15943816
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole
SMILESCCCOc1cc(C)c(C)cc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-4-9-23-17-10-13(2)14(3)11-18(17)24(21,22)20-12-19-15-7-5-6-8-16(15)20/h5-8,10-12H,4,9H2,1-3H3
InChIKeyKOZIJUKMBUTMIS-UHFFFAOYSA-N
XLogP3.68
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 35202176
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
CID 91669948
1-(5-ethoxy-2,4-dimethylphenyl)sulfonylbenzimidazole
CID 91669949
1-(3-methyl-4-pentoxyphenyl)sulfonylbenzimidazole
CID 35201738
1-(4-ethoxy-3-methylphenyl)sulfonylbenzimidazole
CID 2147477
1-(2,4-dimethoxyphenyl)sulfonylbenzimidazole
CID 22200837
1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole
CID 22200842
1-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzimidazole
CID 22200841
4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
CID 16644972
1-(4-propylphenyl)sulfonylbenzimidazole
CID 22200833
1-(2,4-dibromophenyl)sulfonylbenzimidazole
CID 2849375
N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
CID 15943814

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole (CID 15943816) is 1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole is CCCOc1cc(C)c(C)cc1S(=O)(=O)n1cnc2ccccc21.
What is the InChIKey of 1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole?
The InChIKey is KOZIJUKMBUTMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-4-9-23-17-10-13(2)14(3)11-18(17)24(21,22)20-12-19-15-7-5-6-8-16(15)20/h5-8,10-12H,4,9H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole?
1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole has a molecular weight of 344.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 15943816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).