6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one

C16H11FN2O3S — CID 10735163

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one
SMILESO=C1c2cc(F)ccc2S(=O)(=O)c2cc(C3=NCCN3)ccc21
InChIInChI=1S/C16H11FN2O3S/c17-10-2-4-13-12(8-10)15(20)11-3-1-9(16-18-5-6-19-16)7-14(11)23(13,21)22/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyCHGMUIFYIZMKSP-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.55
Rot. Bonds1

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one

6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one (PubChem CID 10735163) has the molecular formula C16H11FN2O3S and a molecular weight of 330.34 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one
PubChem CID10735163
Molecular FormulaC16H11FN2O3S
Molecular Weight330.34 g/mol
Exact Mass330.05
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one
SMILESO=C1c2cc(F)ccc2S(=O)(=O)c2cc(C3=NCCN3)ccc21
InChIInChI=1S/C16H11FN2O3S/c17-10-2-4-13-12(8-10)15(20)11-3-1-9(16-18-5-6-19-16)7-14(11)23(13,21)22/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyCHGMUIFYIZMKSP-UHFFFAOYSA-N
XLogP1.55
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one (CID 10735163) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one is O=C1c2cc(F)ccc2S(=O)(=O)c2cc(C3=NCCN3)ccc21.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one?
The InChIKey is CHGMUIFYIZMKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3S/c17-10-2-4-13-12(8-10)15(20)11-3-1-9(16-18-5-6-19-16)7-14(11)23(13,21)22/h1-4,7-8H,5-6H2,(H,18,19).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one has a molecular weight of 330.34 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 10735163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).