5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole

C17H17ClN2O2S — CID 58104017

IUPAC5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole
SMILESCc1c(Cl)cccc1S(=O)(=O)Cc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C17H17ClN2O2S/c1-11-14(18)5-4-6-17(11)23(21,22)10-13-7-8-16-15(9-13)19-12(2)20(16)3/h4-9H,10H2,1-3H3
InChIKeyIVVMAAFESNAIEJ-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.82
Rot. Bonds3

About 5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole

5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole (PubChem CID 58104017) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole
PubChem CID58104017
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole
SMILESCc1c(Cl)cccc1S(=O)(=O)Cc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C17H17ClN2O2S/c1-11-14(18)5-4-6-17(11)23(21,22)10-13-7-8-16-15(9-13)19-12(2)20(16)3/h4-9H,10H2,1-3H3
InChIKeyIVVMAAFESNAIEJ-UHFFFAOYSA-N
XLogP3.82
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole?
The IUPAC name of 5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole (CID 58104017) is 5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole.
What is the SMILES notation for 5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole?
The canonical SMILES for 5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole is Cc1c(Cl)cccc1S(=O)(=O)Cc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of 5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole?
The InChIKey is IVVMAAFESNAIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-11-14(18)5-4-6-17(11)23(21,22)10-13-7-8-16-15(9-13)19-12(2)20(16)3/h4-9H,10H2,1-3H3.
What are the key properties of 5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole?
5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole has a molecular weight of 348.86 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole is sourced from PubChem (CID 58104017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).