3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one

C15H11N3O4 — CID 118735920

IUPAC3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1O
InChIInChI=1S/C15H11N3O4/c19-14-7-2-1-6-13(14)17-9-12(16-15(17)20)10-4-3-5-11(8-10)18(21)22/h1-9,19H,(H,16,20)
InChIKeyRXTZLSWWEIQVAU-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.45
Rot. Bonds3

About 3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one

3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one (PubChem CID 118735920) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one
PubChem CID118735920
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1O
InChIInChI=1S/C15H11N3O4/c19-14-7-2-1-6-13(14)17-9-12(16-15(17)20)10-4-3-5-11(8-10)18(21)22/h1-9,19H,(H,16,20)
InChIKeyRXTZLSWWEIQVAU-UHFFFAOYSA-N
XLogP2.45
TPSA101.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one (CID 118735920) is 3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one is O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one?
The InChIKey is RXTZLSWWEIQVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-14-7-2-1-6-13(14)17-9-12(16-15(17)20)10-4-3-5-11(8-10)18(21)22/h1-9,19H,(H,16,20).
What are the key properties of 3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one?
3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one has a molecular weight of 297.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one is sourced from PubChem (CID 118735920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).