3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione

C19H13N3O3 — CID 15304900

IUPAC3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione
SMILESCC(=O)n1c(Nc2ccccc2)nc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H13N3O3/c1-11(23)22-16-15(21-19(22)20-12-7-3-2-4-8-12)17(24)13-9-5-6-10-14(13)18(16)25/h2-10H,1H3,(H,20,21)
InChIKeyHGNUBNKGBICLOU-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.06
Rot. Bonds2

About 3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione

3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione (PubChem CID 15304900) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione.

Molecular Properties

Compound Name3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione
PubChem CID15304900
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione
SMILESCC(=O)n1c(Nc2ccccc2)nc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H13N3O3/c1-11(23)22-16-15(21-19(22)20-12-7-3-2-4-8-12)17(24)13-9-5-6-10-14(13)18(16)25/h2-10H,1H3,(H,20,21)
InChIKeyHGNUBNKGBICLOU-UHFFFAOYSA-N
XLogP3.06
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione 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

N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide
CID 10662413
anthracene-9,10-dione;bis(N-phenylaniline)
CID 174974438
3-hydroxy-2-propan-2-ylbenzo[f]benzimidazole-4,9-dione
CID 91972714
3-acetyl-1-methylbenzo[f]indazole-4,9-dione
CID 101064119
N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide
CID 5166275
2-(2-anilinobenzimidazol-1-yl)acetic acid
CID 15944452
3-(2-methylpropyl)benzo[f]benzimidazole-4,9-dione
CID 18679019
N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide
CID 106562341
2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione
CID 3586113
2-(cyclopentylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione
CID 10541659
2-anilino-3-propylquinazolin-4-one
CID 10901968
anthracene-9,10-dione;N-phenylhydroxylamine
CID 162241472

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione?
The IUPAC name of 3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione (CID 15304900) is 3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione.
What is the SMILES notation for 3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione?
The canonical SMILES for 3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione is CC(=O)n1c(Nc2ccccc2)nc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione?
The InChIKey is HGNUBNKGBICLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c1-11(23)22-16-15(21-19(22)20-12-7-3-2-4-8-12)17(24)13-9-5-6-10-14(13)18(16)25/h2-10H,1H3,(H,20,21).
What are the key properties of 3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione?
3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione has a molecular weight of 331.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione is sourced from PubChem (CID 15304900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).