1-(3-nitrophenyl)-3-phenylimidazol-2-one

C15H11N3O3 — CID 102084905

IUPAC1-(3-nitrophenyl)-3-phenylimidazol-2-one
SMILESO=c1n(-c2ccccc2)ccn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11N3O3/c19-15-16(12-5-2-1-3-6-12)9-10-17(15)13-7-4-8-14(11-13)18(20)21/h1-11H
InChIKeyQWGONJADLNALGU-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.54
Rot. Bonds3

About 1-(3-nitrophenyl)-3-phenylimidazol-2-one

1-(3-nitrophenyl)-3-phenylimidazol-2-one (PubChem CID 102084905) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3-phenylimidazol-2-one.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3-phenylimidazol-2-one
PubChem CID102084905
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name1-(3-nitrophenyl)-3-phenylimidazol-2-one
SMILESO=c1n(-c2ccccc2)ccn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11N3O3/c19-15-16(12-5-2-1-3-6-12)9-10-17(15)13-7-4-8-14(11-13)18(20)21/h1-11H
InChIKeyQWGONJADLNALGU-UHFFFAOYSA-N
XLogP2.54
TPSA70.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
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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Related Compounds

2-methyl-1-(3-nitrophenyl)imidazole
CID 59199671
2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 635208
(4E)-5-methyl-4-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2-phenylpyrazol-3-one
CID 5294539
1-(3-nitrophenyl)-3-(2,3,3-trimethylbutan-2-yl)pyridin-2-one
CID 90395572
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
2-(3-nitrophenyl)-1,3-dihydroisoindole
CID 698272
1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one
CID 158902069
5-nitro-1-(3-nitrophenyl)pyrimidine-2,4-dione
CID 12988764
(3aR,4S,7R,7aR)-2-(3-nitrophenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51579929
1-(3-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)pyrrolidine
CID 698267
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-3-phenylimidazol-2-one?
The IUPAC name of 1-(3-nitrophenyl)-3-phenylimidazol-2-one (CID 102084905) is 1-(3-nitrophenyl)-3-phenylimidazol-2-one.
What is the SMILES notation for 1-(3-nitrophenyl)-3-phenylimidazol-2-one?
The canonical SMILES for 1-(3-nitrophenyl)-3-phenylimidazol-2-one is O=c1n(-c2ccccc2)ccn1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-nitrophenyl)-3-phenylimidazol-2-one?
The InChIKey is QWGONJADLNALGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-15-16(12-5-2-1-3-6-12)9-10-17(15)13-7-4-8-14(11-13)18(20)21/h1-11H.
What are the key properties of 1-(3-nitrophenyl)-3-phenylimidazol-2-one?
1-(3-nitrophenyl)-3-phenylimidazol-2-one has a molecular weight of 281.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3-phenylimidazol-2-one is sourced from PubChem (CID 102084905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).