4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol

C19H19F2N3O3S — CID 163233363

IUPAC4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol
SMILESCS(=O)(=O)N1CCC(c2ccc(-n3cnc4cc(F)c(O)c(F)c43)cc2)CC1
InChIInChI=1S/C19H19F2N3O3S/c1-28(26,27)23-8-6-13(7-9-23)12-2-4-14(5-3-12)24-11-22-16-10-15(20)19(25)17(21)18(16)24/h2-5,10-11,13,25H,6-9H2,1H3
InChIKeyFHCUSJJGIAZZOA-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.15
Rot. Bonds3

About 4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol

4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol (PubChem CID 163233363) has the molecular formula C19H19F2N3O3S and a molecular weight of 407.44 g/mol. Its IUPAC name is 4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol.

Molecular Properties

Compound Name4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol
PubChem CID163233363
Molecular FormulaC19H19F2N3O3S
Molecular Weight407.44 g/mol
Exact Mass407.11
IUPAC Name4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol
SMILESCS(=O)(=O)N1CCC(c2ccc(-n3cnc4cc(F)c(O)c(F)c43)cc2)CC1
InChIInChI=1S/C19H19F2N3O3S/c1-28(26,27)23-8-6-13(7-9-23)12-2-4-14(5-3-12)24-11-22-16-10-15(20)19(25)17(21)18(16)24/h2-5,10-11,13,25H,6-9H2,1H3
InChIKeyFHCUSJJGIAZZOA-UHFFFAOYSA-N
XLogP3.15
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol?
The IUPAC name of 4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol (CID 163233363) is 4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol.
What is the SMILES notation for 4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol?
The canonical SMILES for 4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol is CS(=O)(=O)N1CCC(c2ccc(-n3cnc4cc(F)c(O)c(F)c43)cc2)CC1.
What is the InChIKey of 4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol?
The InChIKey is FHCUSJJGIAZZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3S/c1-28(26,27)23-8-6-13(7-9-23)12-2-4-14(5-3-12)24-11-22-16-10-15(20)19(25)17(21)18(16)24/h2-5,10-11,13,25H,6-9H2,1H3.
What are the key properties of 4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol?
4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol has a molecular weight of 407.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]benzimidazol-5-ol is sourced from PubChem (CID 163233363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).