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

C19H18N2O3S — CID 10689481

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one
SMILESCCCc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O
InChIInChI=1S/C19H18N2O3S/c1-2-3-12-4-7-16-15(10-12)18(22)14-6-5-13(19-20-8-9-21-19)11-17(14)25(16,23)24/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyGRERSVRMXZWGJH-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.37
Rot. Bonds3

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

6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one (PubChem CID 10689481) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one
PubChem CID10689481
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one
SMILESCCCc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O
InChIInChI=1S/C19H18N2O3S/c1-2-3-12-4-7-16-15(10-12)18(22)14-6-5-13(19-20-8-9-21-19)11-17(14)25(16,23)24/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyGRERSVRMXZWGJH-UHFFFAOYSA-N
XLogP2.37
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.37
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)-10,10-dioxo-2-propylthioxanthen-9-one?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one (CID 10689481) is 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one is CCCc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one?
The InChIKey is GRERSVRMXZWGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-2-3-12-4-7-16-15(10-12)18(22)14-6-5-13(19-20-8-9-21-19)11-17(14)25(16,23)24/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,21).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one?
6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-propylthioxanthen-9-one has a molecular weight of 354.43 g/mol, XLogP of 2.37, 3 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)-10,10-dioxo-2-propylthioxanthen-9-one is sourced from PubChem (CID 10689481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).