2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone

C24H18F2N2OS — CID 58164685

IUPAC2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone
SMILESO=C(Cc1c(F)cccc1F)c1cc2c(s1)-c1cc(-n3ccnc3)ccc1CCC2
InChIInChI=1S/C24H18F2N2OS/c25-20-5-2-6-21(26)19(20)13-22(29)23-11-16-4-1-3-15-7-8-17(28-10-9-27-14-28)12-18(15)24(16)30-23/h2,5-12,14H,1,3-4,13H2
InChIKeyBIVKDLVHYABCIF-UHFFFAOYSA-N
MW420.48 g/mol
LogP5.79
Rot. Bonds4

About 2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone

2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone (PubChem CID 58164685) has the molecular formula C24H18F2N2OS and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone
PubChem CID58164685
Molecular FormulaC24H18F2N2OS
Molecular Weight420.48 g/mol
Exact Mass420.11
IUPAC Name2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone
SMILESO=C(Cc1c(F)cccc1F)c1cc2c(s1)-c1cc(-n3ccnc3)ccc1CCC2
InChIInChI=1S/C24H18F2N2OS/c25-20-5-2-6-21(26)19(20)13-22(29)23-11-16-4-1-3-15-7-8-17(28-10-9-27-14-28)12-18(15)24(16)30-23/h2,5-12,14H,1,3-4,13H2
InChIKeyBIVKDLVHYABCIF-UHFFFAOYSA-N
XLogP5.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone with MolForge

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Related Compounds

2-(2,6-difluorophenyl)-1-[13-(3-methylimidazol-4-yl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl]ethanone
CID 58164644
2-(2,6-difluoro-3-iodophenyl)-1-(13-imidazol-1-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone
CID 58164650
N-(4-imidazol-1-ylphenyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 37189410
2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide
CID 173193953
1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597
1-(2-bromo-1,3-thiazol-5-yl)-2-(2,6-difluorophenyl)ethanone
CID 161381380
6-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83821442
4-(2-fluoro-5-imidazol-1-ylphenyl)pyridazine
CID 91299206
3-(2-fluoro-5-imidazol-1-ylphenyl)pyridine
CID 67483953
2-(2,6-difluorophenyl)-1-[7-(2,3,5,6-tetradeuterio-4-nitrobenzoyl)-3,13-dithia-7-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]ethanone
CID 157385047
5-imidazol-1-yl-2-benzofuran-1,3-dione
CID 174269134
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-imidazol-1-ylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone (CID 58164685) is 2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone is O=C(Cc1c(F)cccc1F)c1cc2c(s1)-c1cc(-n3ccnc3)ccc1CCC2.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone?
The InChIKey is BIVKDLVHYABCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2OS/c25-20-5-2-6-21(26)19(20)13-22(29)23-11-16-4-1-3-15-7-8-17(28-10-9-27-14-28)12-18(15)24(16)30-23/h2,5-12,14H,1,3-4,13H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone?
2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone has a molecular weight of 420.48 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(13-imidazol-1-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone is sourced from PubChem (CID 58164685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).