1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole

C15H12ClFN2O2S — CID 70920246

IUPAC1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole
SMILESCc1nc2ccc(F)cc2n1-c1ccc(S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C15H12ClFN2O2S/c1-9-18-13-5-3-10(17)7-14(13)19(9)11-4-6-15(12(16)8-11)22(2,20)21/h3-8H,1-2H3
InChIKeyGQMFAXCZVBMIMT-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.53
Rot. Bonds2

About 1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole

1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole (PubChem CID 70920246) has the molecular formula C15H12ClFN2O2S and a molecular weight of 338.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole
PubChem CID70920246
Molecular FormulaC15H12ClFN2O2S
Molecular Weight338.79 g/mol
Exact Mass338.03
IUPAC Name1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole
SMILESCc1nc2ccc(F)cc2n1-c1ccc(S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C15H12ClFN2O2S/c1-9-18-13-5-3-10(17)7-14(13)19(9)11-4-6-15(12(16)8-11)22(2,20)21/h3-8H,1-2H3
InChIKeyGQMFAXCZVBMIMT-UHFFFAOYSA-N
XLogP3.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole?
The IUPAC name of 1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole (CID 70920246) is 1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole.
What is the SMILES notation for 1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole?
The canonical SMILES for 1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole is Cc1nc2ccc(F)cc2n1-c1ccc(S(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole?
The InChIKey is GQMFAXCZVBMIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2S/c1-9-18-13-5-3-10(17)7-14(13)19(9)11-4-6-15(12(16)8-11)22(2,20)21/h3-8H,1-2H3.
What are the key properties of 1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole?
1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole has a molecular weight of 338.79 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylsulfonylphenyl)-6-fluoro-2-methylbenzimidazole is sourced from PubChem (CID 70920246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).