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

C16H11ClN2O3S — CID 10831484

IUPAC2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one
SMILESO=C1c2cc(Cl)ccc2S(=O)(=O)c2cc(C3=NCCN3)ccc21
InChIInChI=1S/C16H11ClN2O3S/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)
InChIKeyVMRKITUFBCAJLW-UHFFFAOYSA-N
MW346.80 g/mol
LogP2.07
Rot. Bonds1

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

2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one (PubChem CID 10831484) has the molecular formula C16H11ClN2O3S and a molecular weight of 346.80 g/mol. Its IUPAC name is 2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one
PubChem CID10831484
Molecular FormulaC16H11ClN2O3S
Molecular Weight346.80 g/mol
Exact Mass346.02
IUPAC Name2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one
SMILESO=C1c2cc(Cl)ccc2S(=O)(=O)c2cc(C3=NCCN3)ccc21
InChIInChI=1S/C16H11ClN2O3S/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)
InChIKeyVMRKITUFBCAJLW-UHFFFAOYSA-N
XLogP2.07
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-Dihydro-1H-imidazol-2-yl)-thioxanthen-9-one
CID 10333875
6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one
CID 10568133
6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propan-2-ylthioxanthen-9-one
CID 10641855
6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one
CID 10689481
6-(2-Imidazolin-2-yl)-2-fluorothioxanthen-9-one 10,10-dioxide
CID 10735163
3-(2-Imidazolin-2-yl)thioxanthen-9-one 10,10-dioxide
CID 10805055
2-tert-butyl-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one
CID 10499266
6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyl-10,10-dioxothioxanthen-9-one
CID 10807069
4-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one
CID 10495299
3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one
CID 10520171
3-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-6-(trifluoromethyl)thioxanthen-9-one
CID 10523800
2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one
CID 10619757

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one?
The IUPAC name of 2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one (CID 10831484) is 2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one is O=C1c2cc(Cl)ccc2S(=O)(=O)c2cc(C3=NCCN3)ccc21.
What is the InChIKey of 2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one?
The InChIKey is VMRKITUFBCAJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3S/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 2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one?
2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one has a molecular weight of 346.80 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 10831484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).