4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole

C23H15FN2O2S — CID 68898723

IUPAC4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole
SMILESO=S(=O)(c1ccc2cc(-c3ccc(F)cc3)ccc2c1)c1cccc2[nH]cnc12
InChIInChI=1S/C23H15FN2O2S/c24-19-9-6-15(7-10-19)16-4-5-18-13-20(11-8-17(18)12-16)29(27,28)22-3-1-2-21-23(22)26-14-25-21/h1-14H,(H,25,26)
InChIKeyICKWBZKAPJJBGC-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.36
Rot. Bonds3

About 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole

4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole (PubChem CID 68898723) has the molecular formula C23H15FN2O2S and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole
PubChem CID68898723
Molecular FormulaC23H15FN2O2S
Molecular Weight402.45 g/mol
Exact Mass402.08
IUPAC Name4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole
SMILESO=S(=O)(c1ccc2cc(-c3ccc(F)cc3)ccc2c1)c1cccc2[nH]cnc12
InChIInChI=1S/C23H15FN2O2S/c24-19-9-6-15(7-10-19)16-4-5-18-13-20(11-8-17(18)12-16)29(27,28)22-3-1-2-21-23(22)26-14-25-21/h1-14H,(H,25,26)
InChIKeyICKWBZKAPJJBGC-UHFFFAOYSA-N
XLogP5.36
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole?
The IUPAC name of 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole (CID 68898723) is 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole.
What is the SMILES notation for 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole?
The canonical SMILES for 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole is O=S(=O)(c1ccc2cc(-c3ccc(F)cc3)ccc2c1)c1cccc2[nH]cnc12.
What is the InChIKey of 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole?
The InChIKey is ICKWBZKAPJJBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2O2S/c24-19-9-6-15(7-10-19)16-4-5-18-13-20(11-8-17(18)12-16)29(27,28)22-3-1-2-21-23(22)26-14-25-21/h1-14H,(H,25,26).
What are the key properties of 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole?
4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole has a molecular weight of 402.45 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-1H-benzimidazole is sourced from PubChem (CID 68898723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).