2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one

C12H10N2O2 — CID 135407245

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one
SMILESO=C1C(C2=NCCN2)=C(O)c2ccccc21
InChIInChI=1S/C12H10N2O2/c15-10-7-3-1-2-4-8(7)11(16)9(10)12-13-5-6-14-12/h1-4,15H,5-6H2,(H,13,14)
InChIKeyGRNOZBOYQKNWAF-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.15
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one

2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one (PubChem CID 135407245) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one
PubChem CID135407245
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one
SMILESO=C1C(C2=NCCN2)=C(O)c2ccccc21
InChIInChI=1S/C12H10N2O2/c15-10-7-3-1-2-4-8(7)11(16)9(10)12-13-5-6-14-12/h1-4,15H,5-6H2,(H,13,14)
InChIKeyGRNOZBOYQKNWAF-UHFFFAOYSA-N
XLogP1.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one (CID 135407245) is 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one is O=C1C(C2=NCCN2)=C(O)c2ccccc21.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one?
The InChIKey is GRNOZBOYQKNWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-10-7-3-1-2-4-8(7)11(16)9(10)12-13-5-6-14-12/h1-4,15H,5-6H2,(H,13,14).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one?
2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one has a molecular weight of 214.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyinden-1-one is sourced from PubChem (CID 135407245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).