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

C19H16N4O3S — CID 10619757

IUPAC2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one
SMILESO=C1c2cc(C3=NCCN3)ccc2S(=O)(=O)c2cc(C3=NCCN3)ccc21
InChIInChI=1S/C19H16N4O3S/c24-17-13-3-1-12(19-22-7-8-23-19)10-16(13)27(25,26)15-4-2-11(9-14(15)17)18-20-5-6-21-18/h1-4,9-10H,5-8H2,(H,20,21)(H,22,23)
InChIKeyQKVCNHDDCWYTBK-UHFFFAOYSA-N
MW380.43 g/mol
LogP0.76
Rot. Bonds2

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

2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one (PubChem CID 10619757) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one
PubChem CID10619757
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one
SMILESO=C1c2cc(C3=NCCN3)ccc2S(=O)(=O)c2cc(C3=NCCN3)ccc21
InChIInChI=1S/C19H16N4O3S/c24-17-13-3-1-12(19-22-7-8-23-19)10-16(13)27(25,26)15-4-2-11(9-14(15)17)18-20-5-6-21-18/h1-4,9-10H,5-8H2,(H,20,21)(H,22,23)
InChIKeyQKVCNHDDCWYTBK-UHFFFAOYSA-N
XLogP0.76
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one?
The IUPAC name of 2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one (CID 10619757) is 2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one is O=C1c2cc(C3=NCCN3)ccc2S(=O)(=O)c2cc(C3=NCCN3)ccc21.
What is the InChIKey of 2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one?
The InChIKey is QKVCNHDDCWYTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-17-13-3-1-12(19-22-7-8-23-19)10-16(13)27(25,26)15-4-2-11(9-14(15)17)18-20-5-6-21-18/h1-4,9-10H,5-8H2,(H,20,21)(H,22,23).
What are the key properties of 2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one?
2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one has a molecular weight of 380.43 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 10619757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).