5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole

C11H8N4O4 — CID 135541183

IUPAC5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole
SMILESO=[N+]([O-])c1cccc(C=Cc2nc[nH]c2[N+](=O)[O-])c1
InChIInChI=1S/C11H8N4O4/c16-14(17)9-3-1-2-8(6-9)4-5-10-11(15(18)19)13-7-12-10/h1-7H,(H,12,13)
InChIKeyRABRDFSBYLYRFQ-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.40
Rot. Bonds4

About 5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole

5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole (PubChem CID 135541183) has the molecular formula C11H8N4O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is 5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole.

Molecular Properties

Compound Name5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole
PubChem CID135541183
Molecular FormulaC11H8N4O4
Molecular Weight260.21 g/mol
Exact Mass260.05
IUPAC Name5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole
SMILESO=[N+]([O-])c1cccc(C=Cc2nc[nH]c2[N+](=O)[O-])c1
InChIInChI=1S/C11H8N4O4/c16-14(17)9-3-1-2-8(6-9)4-5-10-11(15(18)19)13-7-12-10/h1-7H,(H,12,13)
InChIKeyRABRDFSBYLYRFQ-UHFFFAOYSA-N
XLogP2.40
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
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

5-nitro-4-[(Z)-2-phenylethenyl]-1H-imidazole
CID 135538367
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
4-[(E)-2-(4-isocyanophenyl)ethenyl]-5-nitro-1H-imidazole
CID 153291073
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 5298402
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine
CID 6080576
1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]pyrrole
CID 10036726
N-methyl-1-(3-nitrophenyl)methanimine oxide
CID 4640980
(E)-3-(3-nitrophenyl)prop-2-en-1-amine
CID 19966844
3-(3-nitrophenyl)prop-2-en-1-ol
CID 53401716
3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 6199001

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole?
The IUPAC name of 5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole (CID 135541183) is 5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole.
What is the SMILES notation for 5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole?
The canonical SMILES for 5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole is O=[N+]([O-])c1cccc(C=Cc2nc[nH]c2[N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole?
The InChIKey is RABRDFSBYLYRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O4/c16-14(17)9-3-1-2-8(6-9)4-5-10-11(15(18)19)13-7-12-10/h1-7H,(H,12,13).
What are the key properties of 5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole?
5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole has a molecular weight of 260.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole is sourced from PubChem (CID 135541183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).