6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

C15H11F4N3O2S — CID 14902026

IUPAC6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
SMILESO=S(Cc1cc(OCC(F)(F)F)ccn1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H11F4N3O2S/c16-9-1-2-12-13(5-9)22-14(21-12)25(23)7-10-6-11(3-4-20-10)24-8-15(17,18)19/h1-6H,7-8H2,(H,21,22)
InChIKeyNIFURRNIJSBURI-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.35
Rot. Bonds5

About 6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (PubChem CID 14902026) has the molecular formula C15H11F4N3O2S and a molecular weight of 373.33 g/mol. Its IUPAC name is 6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
PubChem CID14902026
Molecular FormulaC15H11F4N3O2S
Molecular Weight373.33 g/mol
Exact Mass373.05
IUPAC Name6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
SMILESO=S(Cc1cc(OCC(F)(F)F)ccn1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H11F4N3O2S/c16-9-1-2-12-13(5-9)22-14(21-12)25(23)7-10-6-11(3-4-20-10)24-8-15(17,18)19/h1-6H,7-8H2,(H,21,22)
InChIKeyNIFURRNIJSBURI-UHFFFAOYSA-N
XLogP3.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(2,4-difluorophenyl)methoxy]-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 14426019
2-[[4-(4-chlorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole;2-[[4-(4-fluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 158508393
2-[[4-(2-ethoxyethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 112758398
6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 13018818
2-[[4-(2,2,3,3,4,4,4-heptafluorobutoxy)-2-pyridinyl]methylsulfinyl]-4,6-dimethyl-1H-thieno[3,4-d]imidazole
CID 14721626
6-tert-butyl-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 20518169
bis(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole);sulfane
CID 87220564
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate
CID 19598444
methanamine;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 142854195
2-[[5-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 15133683
[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
CID 14902011
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;1H-pyrrole
CID 141271129

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (CID 14902026) is 6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is O=S(Cc1cc(OCC(F)(F)F)ccn1)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?
The InChIKey is NIFURRNIJSBURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O2S/c16-9-1-2-12-13(5-9)22-14(21-12)25(23)7-10-6-11(3-4-20-10)24-8-15(17,18)19/h1-6H,7-8H2,(H,21,22).
What are the key properties of 6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?
6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole has a molecular weight of 373.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 14902026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).