6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one

C19H19N3O3S — CID 11793465

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one
SMILESCCN(C)c1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O
InChIInChI=1S/C19H19N3O3S/c1-3-22(2)13-5-7-16-15(11-13)18(23)14-6-4-12(19-20-8-9-21-19)10-17(14)26(16,24)25/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyRQPHLQKZAVNNLI-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.87
Rot. Bonds3

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one (PubChem CID 11793465) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one
PubChem CID11793465
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one
SMILESCCN(C)c1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O
InChIInChI=1S/C19H19N3O3S/c1-3-22(2)13-5-7-16-15(11-13)18(23)14-6-4-12(19-20-8-9-21-19)10-17(14)26(16,24)25/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyRQPHLQKZAVNNLI-UHFFFAOYSA-N
XLogP1.87
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one (CID 11793465) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one is CCN(C)c1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one?
The InChIKey is RQPHLQKZAVNNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-22(2)13-5-7-16-15(11-13)18(23)14-6-4-12(19-20-8-9-21-19)10-17(14)26(16,24)25/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,21).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one has a molecular weight of 369.45 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[ethyl(methyl)amino]-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 11793465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).