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

C17H14N2O3S — CID 10568133

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one
SMILESCc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O
InChIInChI=1S/C17H14N2O3S/c1-10-2-5-14-13(8-10)16(20)12-4-3-11(17-18-6-7-19-17)9-15(12)23(14,21)22/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyQSGCYAQNAAORAB-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.72
Rot. Bonds1

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

6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one (PubChem CID 10568133) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one
PubChem CID10568133
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one
SMILESCc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O
InChIInChI=1S/C17H14N2O3S/c1-10-2-5-14-13(8-10)16(20)12-4-3-11(17-18-6-7-19-17)9-15(12)23(14,21)22/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyQSGCYAQNAAORAB-UHFFFAOYSA-N
XLogP1.72
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one (CID 10568133) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one is Cc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one?
The InChIKey is QSGCYAQNAAORAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-10-2-5-14-13(8-10)16(20)12-4-3-11(17-18-6-7-19-17)9-15(12)23(14,21)22/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-10,10-dioxothioxanthen-9-one has a molecular weight of 326.38 g/mol, XLogP of 1.72, 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-methyl-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 10568133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).