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

C18H16N2O4S — CID 10808175

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one
SMILESCCOc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O
InChIInChI=1S/C18H16N2O4S/c1-2-24-12-4-6-15-14(10-12)17(21)13-5-3-11(18-19-7-8-20-18)9-16(13)25(15,22)23/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
InChIKeySBCKSUSKXKZAGT-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.81
Rot. Bonds3

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

6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one (PubChem CID 10808175) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one
PubChem CID10808175
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one
SMILESCCOc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O
InChIInChI=1S/C18H16N2O4S/c1-2-24-12-4-6-15-14(10-12)17(21)13-5-3-11(18-19-7-8-20-18)9-16(13)25(15,22)23/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
InChIKeySBCKSUSKXKZAGT-UHFFFAOYSA-N
XLogP1.81
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4,5-dihydro-1H-imidazol-2-yl)-2-fluoro-10,10-dioxothioxanthen-9-one
CID 10735163
4-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxyphenol
CID 136822415
methyl N-(2-aminoethyl)-7-ethoxy-9,10,10-trioxothioxanthene-3-carboximidate
CID 10524328
2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110540504
2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110535982
ethyl 3-[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-3-oxopropanoate
CID 110465453
2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82243218
2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 95450542
2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole
CID 126982323
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664413
N-ethyl-2-[7-[2-(ethylamino)ethoxy]-5,5-dioxodibenzothiophen-2-yl]oxyethanamine
CID 67164251
2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664911

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one (CID 10808175) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one is CCOc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one?
The InChIKey is SBCKSUSKXKZAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-2-24-12-4-6-15-14(10-12)17(21)13-5-3-11(18-19-7-8-20-18)9-16(13)25(15,22)23/h3-6,9-10H,2,7-8H2,1H3,(H,19,20).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxy-10,10-dioxothioxanthen-9-one has a molecular weight of 356.40 g/mol, XLogP of 1.81, 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-ethoxy-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 10808175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).