2-imidazol-1-yl-2-phenylindene-1,3-dione

C18H12N2O2 — CID 171986504

IUPAC2-imidazol-1-yl-2-phenylindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(c1ccccc1)n1ccnc1
InChIInChI=1S/C18H12N2O2/c21-16-14-8-4-5-9-15(14)17(22)18(16,20-11-10-19-12-20)13-6-2-1-3-7-13/h1-12H
InChIKeyQIRDEJMUWKJDSQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.71
Rot. Bonds2

About 2-imidazol-1-yl-2-phenylindene-1,3-dione

2-imidazol-1-yl-2-phenylindene-1,3-dione (PubChem CID 171986504) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-imidazol-1-yl-2-phenylindene-1,3-dione.

Molecular Properties

Compound Name2-imidazol-1-yl-2-phenylindene-1,3-dione
PubChem CID171986504
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-imidazol-1-yl-2-phenylindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(c1ccccc1)n1ccnc1
InChIInChI=1S/C18H12N2O2/c21-16-14-8-4-5-9-15(14)17(22)18(16,20-11-10-19-12-20)13-6-2-1-3-7-13/h1-12H
InChIKeyQIRDEJMUWKJDSQ-UHFFFAOYSA-N
XLogP2.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-2-phenylindene-1,3-dione?
The IUPAC name of 2-imidazol-1-yl-2-phenylindene-1,3-dione (CID 171986504) is 2-imidazol-1-yl-2-phenylindene-1,3-dione.
What is the SMILES notation for 2-imidazol-1-yl-2-phenylindene-1,3-dione?
The canonical SMILES for 2-imidazol-1-yl-2-phenylindene-1,3-dione is O=C1c2ccccc2C(=O)C1(c1ccccc1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-2-phenylindene-1,3-dione?
The InChIKey is QIRDEJMUWKJDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-16-14-8-4-5-9-15(14)17(22)18(16,20-11-10-19-12-20)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 2-imidazol-1-yl-2-phenylindene-1,3-dione?
2-imidazol-1-yl-2-phenylindene-1,3-dione has a molecular weight of 288.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-2-phenylindene-1,3-dione is sourced from PubChem (CID 171986504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).