1,8-dihydroxyanthracene-9,10-dione;1H-imidazole

C17H12N2O4 — CID 174718277

IUPAC1,8-dihydroxyanthracene-9,10-dione;1H-imidazole
SMILESO=C1c2cccc(O)c2C(=O)c2c(O)cccc21.c1c[nH]cn1
InChIInChI=1S/C14H8O4.C3H4N2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16;1-2-5-3-4-1/h1-6,15-16H;1-3H,(H,4,5)
InChIKeyQMTKJYUEMLYICQ-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.28
Rot. Bonds

About 1,8-dihydroxyanthracene-9,10-dione;1H-imidazole

1,8-dihydroxyanthracene-9,10-dione;1H-imidazole (PubChem CID 174718277) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 1,8-dihydroxyanthracene-9,10-dione;1H-imidazole.

Molecular Properties

Compound Name1,8-dihydroxyanthracene-9,10-dione;1H-imidazole
PubChem CID174718277
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name1,8-dihydroxyanthracene-9,10-dione;1H-imidazole
SMILESO=C1c2cccc(O)c2C(=O)c2c(O)cccc21.c1c[nH]cn1
InChIInChI=1S/C14H8O4.C3H4N2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16;1-2-5-3-4-1/h1-6,15-16H;1-3H,(H,4,5)
InChIKeyQMTKJYUEMLYICQ-UHFFFAOYSA-N
XLogP2.28
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 1,8-dihydroxyanthracene-9,10-dione;1H-imidazole with MolForge

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

Launch Full Analysis

Related Compounds

CID 158452185
CID 158452185
1-hydroxy-8-nitrosoanthracene-9,10-dione
CID 118601713
5-hydroxy-3-methyl-2H-benzo[f]isoindole-4,9-dione
CID 102195329
1H-imidazole;sulfuric acid;pentahydrate
CID 174567673
potassium 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylate
CID 42646236
1H-imidazole;nitroxyl
CID 174498355
1H-imidazole;oxozinc
CID 67355712
cerium(4+);1H-imidazole
CID 175891649
1H-imidazole;tetrahydrochloride
CID 141350371
CID 175227621
CID 175227621
chloranium 1H-imidazole
CID 172826260
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxyanthracene-9,10-dione;1H-imidazole?
The IUPAC name of 1,8-dihydroxyanthracene-9,10-dione;1H-imidazole (CID 174718277) is 1,8-dihydroxyanthracene-9,10-dione;1H-imidazole.
What is the SMILES notation for 1,8-dihydroxyanthracene-9,10-dione;1H-imidazole?
The canonical SMILES for 1,8-dihydroxyanthracene-9,10-dione;1H-imidazole is O=C1c2cccc(O)c2C(=O)c2c(O)cccc21.c1c[nH]cn1.
What is the InChIKey of 1,8-dihydroxyanthracene-9,10-dione;1H-imidazole?
The InChIKey is QMTKJYUEMLYICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4.C3H4N2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16;1-2-5-3-4-1/h1-6,15-16H;1-3H,(H,4,5).
What are the key properties of 1,8-dihydroxyanthracene-9,10-dione;1H-imidazole?
1,8-dihydroxyanthracene-9,10-dione;1H-imidazole has a molecular weight of 308.29 g/mol, XLogP of 2.28, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxyanthracene-9,10-dione;1H-imidazole is sourced from PubChem (CID 174718277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).