4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one

C9H7N3O3 — CID 67815214

IUPAC4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one
SMILESO=C1NC=NC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H7N3O3/c13-9-8(10-5-11-9)6-1-3-7(4-2-6)12(14)15/h1-5,8H,(H,10,11,13)
InChIKeyXCATZMJGXAFMLA-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.79
Rot. Bonds2

About 4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one

4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one (PubChem CID 67815214) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one
PubChem CID67815214
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one
SMILESO=C1NC=NC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H7N3O3/c13-9-8(10-5-11-9)6-1-3-7(4-2-6)12(14)15/h1-5,8H,(H,10,11,13)
InChIKeyXCATZMJGXAFMLA-UHFFFAOYSA-N
XLogP0.79
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(4-nitrophenyl)azetidin-2-one
CID 55255418
(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 12065059
4-(4-nitrophenyl)piperidine-2,6-dione
CID 53426303
4-(4-nitrophenyl)pyrrolidine-2,3,5-trione
CID 117060490
5-(4-nitrophenyl)-5H-tetrazole
CID 174394321
2-(4-nitrophenyl)-1,3-dioxepane
CID 12562261
6-(4-nitrophenyl)-2,4-diphenyl-1,2,4,5-tetrazinan-3-one
CID 10384845
4-methyl-6-(4-nitrophenyl)-5-(oxomethylidene)-1,3-diazinan-2-one
CID 57140644
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
3-(4-nitrophenyl)-1,3-dihydroindol-2-one
CID 112758281
5-(4-nitrophenyl)piperazin-2-one
CID 156825093
2,2-diethyl-3-(4-nitrophenyl)cyclobutan-1-one
CID 81416538

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one (CID 67815214) is 4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one is O=C1NC=NC1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one?
The InChIKey is XCATZMJGXAFMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-9-8(10-5-11-9)6-1-3-7(4-2-6)12(14)15/h1-5,8H,(H,10,11,13).
What are the key properties of 4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one?
4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one has a molecular weight of 205.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 67815214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).