3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one

C16H16N2O3S — CID 44578792

IUPAC3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one
SMILESCc1cc(C)cc(S(=O)(=O)n2c(=O)[nH]c3ccc(C)cc32)c1
InChIInChI=1S/C16H16N2O3S/c1-10-4-5-14-15(9-10)18(16(19)17-14)22(20,21)13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H,17,19)
InChIKeyGZDOLLSEGONNFD-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.49
Rot. Bonds2

About 3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one

3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one (PubChem CID 44578792) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one
PubChem CID44578792
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one
SMILESCc1cc(C)cc(S(=O)(=O)n2c(=O)[nH]c3ccc(C)cc32)c1
InChIInChI=1S/C16H16N2O3S/c1-10-4-5-14-15(9-10)18(16(19)17-14)22(20,21)13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H,17,19)
InChIKeyGZDOLLSEGONNFD-UHFFFAOYSA-N
XLogP2.49
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one (CID 44578792) is 3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one is Cc1cc(C)cc(S(=O)(=O)n2c(=O)[nH]c3ccc(C)cc32)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one?
The InChIKey is GZDOLLSEGONNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10-4-5-14-15(9-10)18(16(19)17-14)22(20,21)13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H,17,19).
What are the key properties of 3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one?
3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one has a molecular weight of 316.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)sulfonyl-5-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 44578792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).